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2265 lines
134 KiB
Fortran
2265 lines
134 KiB
Fortran
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BEGIN_PROVIDER [integer, degree_max_integration_lebedev]
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BEGIN_DOC
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! integrate correctly a polynom of order "degree_max_integration_lebedev"
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! needed for the angular integration according to LEBEDEV formulae
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END_DOC
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implicit none
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degree_max_integration_lebedev= 15
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END_PROVIDER
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BEGIN_PROVIDER [integer, n_points_integration_angular_lebedev]
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BEGIN_DOC
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! Number of points needed for the angular integral
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END_DOC
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implicit none
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if (degree_max_integration_lebedev == 3)then
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n_points_integration_angular_lebedev = 6
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else if (degree_max_integration_lebedev == 5)then
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n_points_integration_angular_lebedev = 14
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else if (degree_max_integration_lebedev == 7)then
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n_points_integration_angular_lebedev = 26
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else if (degree_max_integration_lebedev == 9)then
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n_points_integration_angular_lebedev = 38
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else if (degree_max_integration_lebedev == 11)then
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n_points_integration_angular_lebedev = 50
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else if (degree_max_integration_lebedev == 13)then
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n_points_integration_angular_lebedev = 74
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else if (degree_max_integration_lebedev == 15)then
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n_points_integration_angular_lebedev = 86
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else if (degree_max_integration_lebedev == 17)then
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n_points_integration_angular_lebedev = 110
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else if (degree_max_integration_lebedev == 19)then
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n_points_integration_angular_lebedev = 146
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else if (degree_max_integration_lebedev == 21)then
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n_points_integration_angular_lebedev = 170
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endif
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END_PROVIDER
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BEGIN_PROVIDER [double precision, theta_angular_integration_lebedev, (n_points_integration_angular_lebedev)]
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&BEGIN_PROVIDER [double precision, phi_angular_integration_lebedev, (n_points_integration_angular_lebedev)]
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&BEGIN_PROVIDER [double precision, weights_angular_integration_lebedev, (n_points_integration_angular_lebedev)]
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implicit none
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BEGIN_DOC
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! Theta phi values together with the weights values for the angular integration :
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! integral [dphi,dtheta] f(x,y,z) = 4 * pi * sum (1<i<n_points_integration_angular_lebedev) f(xi,yi,zi)
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! Note that theta and phi are in DEGREES !!
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END_DOC
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if (degree_max_integration_lebedev == 3)then
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theta_angular_integration_lebedev(1) = 0.000000000000000d0
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theta_angular_integration_lebedev(2) = 180.000000000000000d0
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theta_angular_integration_lebedev(3) = 90.000000000000000d0
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theta_angular_integration_lebedev(4) = -90.000000000000000d0
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theta_angular_integration_lebedev(5) = 90.000000000000000d0
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theta_angular_integration_lebedev(6) = 90.000000000000000d0
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phi_angular_integration_lebedev(1) = 90.000000000000000d0
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phi_angular_integration_lebedev(2) = 90.000000000000000d0
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phi_angular_integration_lebedev(3) = 90.000000000000000d0
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phi_angular_integration_lebedev(4) = 90.000000000000000d0
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phi_angular_integration_lebedev(5) = 0.000000000000000d0
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phi_angular_integration_lebedev(6) = 180.000000000000000d0
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weights_angular_integration_lebedev(1) = 0.166666666666667d0
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weights_angular_integration_lebedev(2) = 0.166666666666667d0
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weights_angular_integration_lebedev(3) = 0.166666666666667d0
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weights_angular_integration_lebedev(4) = 0.166666666666667d0
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weights_angular_integration_lebedev(5) = 0.166666666666667d0
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weights_angular_integration_lebedev(6) = 0.166666666666667d0
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else if( degree_max_integration_lebedev == 5)then
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theta_angular_integration_lebedev(1) = 0.000000000000000d0
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theta_angular_integration_lebedev(2) = 180.000000000000000d0
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theta_angular_integration_lebedev(3) = 90.000000000000000d0
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theta_angular_integration_lebedev(4) = -90.000000000000000d0
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theta_angular_integration_lebedev(5) = 90.000000000000000d0
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theta_angular_integration_lebedev(6) = 90.000000000000000d0
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theta_angular_integration_lebedev(7) = 45.000000000000000d0
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theta_angular_integration_lebedev(8) = 45.000000000000000d0
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theta_angular_integration_lebedev(9) = -45.000000000000000d0
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theta_angular_integration_lebedev(10) = -45.000000000000000d0
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theta_angular_integration_lebedev(11) = 135.000000000000000d0
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theta_angular_integration_lebedev(12) = 135.000000000000000d0
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theta_angular_integration_lebedev(13) = -135.000000000000000d0
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theta_angular_integration_lebedev(14) = -135.000000000000000d0
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phi_angular_integration_lebedev(1) = 90.000000000000000d0
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phi_angular_integration_lebedev(2) = 90.000000000000000d0
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phi_angular_integration_lebedev(3) = 90.000000000000000d0
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phi_angular_integration_lebedev(4) = 90.000000000000000d0
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phi_angular_integration_lebedev(5) = 0.000000000000000d0
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phi_angular_integration_lebedev(6) = 180.000000000000000d0
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phi_angular_integration_lebedev(7) = 54.735610317245346d0
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phi_angular_integration_lebedev(8) = 125.264389682754654d0
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phi_angular_integration_lebedev(9) = 54.735610317245346d0
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phi_angular_integration_lebedev(10) = 125.264389682754654d0
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phi_angular_integration_lebedev(11) = 54.735610317245346d0
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phi_angular_integration_lebedev(12) = 125.264389682754654d0
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phi_angular_integration_lebedev(13) = 54.735610317245346d0
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phi_angular_integration_lebedev(14) = 125.264389682754654d0
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weights_angular_integration_lebedev(1) = 0.066666666666667d0
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weights_angular_integration_lebedev(2) = 0.066666666666667d0
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weights_angular_integration_lebedev(3) = 0.066666666666667d0
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weights_angular_integration_lebedev(4) = 0.066666666666667d0
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weights_angular_integration_lebedev(5) = 0.066666666666667d0
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weights_angular_integration_lebedev(6) = 0.066666666666667d0
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weights_angular_integration_lebedev(7) = 0.075000000000000d0
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weights_angular_integration_lebedev(8) = 0.075000000000000d0
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weights_angular_integration_lebedev(9) = 0.075000000000000d0
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weights_angular_integration_lebedev(10) = 0.075000000000000d0
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weights_angular_integration_lebedev(11) = 0.075000000000000d0
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weights_angular_integration_lebedev(12) = 0.075000000000000d0
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weights_angular_integration_lebedev(13) = 0.075000000000000d0
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weights_angular_integration_lebedev(14) = 0.075000000000000d0
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else if (degree_max_integration_lebedev == 7)then
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theta_angular_integration_lebedev(1) = 0.000000000000000d0
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theta_angular_integration_lebedev(2) = 180.000000000000000d0
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theta_angular_integration_lebedev(3) = 90.000000000000000d0
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theta_angular_integration_lebedev(4) = -90.000000000000000d0
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theta_angular_integration_lebedev(5) = 90.000000000000000d0
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theta_angular_integration_lebedev(6) = 90.000000000000000d0
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theta_angular_integration_lebedev(7) = 90.000000000000000d0
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theta_angular_integration_lebedev(8) = 90.000000000000000d0
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theta_angular_integration_lebedev(9) = -90.000000000000000d0
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theta_angular_integration_lebedev(10) = -90.000000000000000d0
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theta_angular_integration_lebedev(11) = 0.000000000000000d0
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theta_angular_integration_lebedev(12) = 0.000000000000000d0
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theta_angular_integration_lebedev(13) = 180.000000000000000d0
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theta_angular_integration_lebedev(14) = 180.000000000000000d0
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theta_angular_integration_lebedev(15) = 45.000000000000000d0
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theta_angular_integration_lebedev(16) = -45.000000000000000d0
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theta_angular_integration_lebedev(17) = 135.000000000000000d0
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theta_angular_integration_lebedev(18) = -135.000000000000000d0
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theta_angular_integration_lebedev(19) = 45.000000000000000d0
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theta_angular_integration_lebedev(20) = 45.000000000000000d0
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theta_angular_integration_lebedev(21) = -45.000000000000000d0
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theta_angular_integration_lebedev(22) = -45.000000000000000d0
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theta_angular_integration_lebedev(23) = 135.000000000000000d0
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theta_angular_integration_lebedev(24) = 135.000000000000000d0
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theta_angular_integration_lebedev(25) = -135.000000000000000d0
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theta_angular_integration_lebedev(26) = -135.000000000000000d0
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phi_angular_integration_lebedev(1) = 90.000000000000000d0
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phi_angular_integration_lebedev(2) = 90.000000000000000d0
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phi_angular_integration_lebedev(3) = 90.000000000000000d0
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phi_angular_integration_lebedev(4) = 90.000000000000000d0
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phi_angular_integration_lebedev(5) = 0.000000000000000d0
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phi_angular_integration_lebedev(6) = 180.000000000000000d0
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phi_angular_integration_lebedev(7) = 45.000000000000000d0
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phi_angular_integration_lebedev(8) = 135.000000000000000d0
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phi_angular_integration_lebedev(9) = 45.000000000000000d0
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phi_angular_integration_lebedev(10) = 135.000000000000000d0
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phi_angular_integration_lebedev(11) = 45.000000000000000d0
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phi_angular_integration_lebedev(12) = 135.000000000000000d0
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phi_angular_integration_lebedev(13) = 45.000000000000000d0
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phi_angular_integration_lebedev(14) = 135.000000000000000d0
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phi_angular_integration_lebedev(15) = 90.000000000000000d0
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phi_angular_integration_lebedev(16) = 90.000000000000000d0
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phi_angular_integration_lebedev(17) = 90.000000000000000d0
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phi_angular_integration_lebedev(18) = 90.000000000000000d0
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phi_angular_integration_lebedev(19) = 54.735610317245346d0
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phi_angular_integration_lebedev(20) = 125.264389682754654d0
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phi_angular_integration_lebedev(21) = 54.735610317245346d0
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phi_angular_integration_lebedev(22) = 125.264389682754654d0
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phi_angular_integration_lebedev(23) = 54.735610317245346d0
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phi_angular_integration_lebedev(24) = 125.264389682754654d0
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phi_angular_integration_lebedev(25) = 54.735610317245346d0
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phi_angular_integration_lebedev(26) = 125.264389682754654d0
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weights_angular_integration_lebedev(1) = 0.047619047619048d0
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weights_angular_integration_lebedev(2) = 0.047619047619048d0
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weights_angular_integration_lebedev(3) = 0.047619047619048d0
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weights_angular_integration_lebedev(4) = 0.047619047619048d0
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weights_angular_integration_lebedev(5) = 0.047619047619048d0
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weights_angular_integration_lebedev(6) = 0.047619047619048d0
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weights_angular_integration_lebedev(7) = 0.038095238095238d0
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weights_angular_integration_lebedev(8) = 0.038095238095238d0
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weights_angular_integration_lebedev(9) = 0.038095238095238d0
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weights_angular_integration_lebedev(10) = 0.038095238095238d0
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weights_angular_integration_lebedev(11) = 0.038095238095238d0
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weights_angular_integration_lebedev(12) = 0.038095238095238d0
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weights_angular_integration_lebedev(13) = 0.038095238095238d0
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weights_angular_integration_lebedev(14) = 0.038095238095238d0
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weights_angular_integration_lebedev(15) = 0.038095238095238d0
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weights_angular_integration_lebedev(16) = 0.038095238095238d0
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weights_angular_integration_lebedev(17) = 0.038095238095238d0
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weights_angular_integration_lebedev(18) = 0.038095238095238d0
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weights_angular_integration_lebedev(19) = 0.032142857142857d0
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weights_angular_integration_lebedev(20) = 0.032142857142857d0
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weights_angular_integration_lebedev(21) = 0.032142857142857d0
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weights_angular_integration_lebedev(22) = 0.032142857142857d0
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weights_angular_integration_lebedev(23) = 0.032142857142857d0
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weights_angular_integration_lebedev(24) = 0.032142857142857d0
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weights_angular_integration_lebedev(25) = 0.032142857142857d0
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weights_angular_integration_lebedev(26) = 0.032142857142857d0
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else if (degree_max_integration_lebedev == 9)then
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theta_angular_integration_lebedev(1) = 0.000000000000000d0
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theta_angular_integration_lebedev(2) = 180.000000000000000d0
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theta_angular_integration_lebedev(3) = 90.000000000000000d0
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theta_angular_integration_lebedev(4) = -90.000000000000000d0
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theta_angular_integration_lebedev(5) = 90.000000000000000d0
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theta_angular_integration_lebedev(6) = 90.000000000000000d0
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theta_angular_integration_lebedev(7) = 45.000000000000000d0
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theta_angular_integration_lebedev(8) = 45.000000000000000d0
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theta_angular_integration_lebedev(9) = -45.000000000000000d0
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theta_angular_integration_lebedev(10) = -45.000000000000000d0
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theta_angular_integration_lebedev(11) = 135.000000000000000d0
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theta_angular_integration_lebedev(12) = 135.000000000000000d0
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theta_angular_integration_lebedev(13) = -135.000000000000000d0
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theta_angular_integration_lebedev(14) = -135.000000000000000d0
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theta_angular_integration_lebedev(15) = 62.632194841377327d0
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theta_angular_integration_lebedev(16) = -62.632194841377327d0
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theta_angular_integration_lebedev(17) = 117.367805158622687d0
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theta_angular_integration_lebedev(18) = -117.367805158622687d0
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theta_angular_integration_lebedev(19) = 27.367805158622673d0
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theta_angular_integration_lebedev(20) = -27.367805158622673d0
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theta_angular_integration_lebedev(21) = 152.632194841377355d0
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theta_angular_integration_lebedev(22) = -152.632194841377355d0
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theta_angular_integration_lebedev(23) = 0.000000000000000d0
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theta_angular_integration_lebedev(24) = 0.000000000000000d0
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theta_angular_integration_lebedev(25) = 180.000000000000000d0
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theta_angular_integration_lebedev(26) = 180.000000000000000d0
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theta_angular_integration_lebedev(27) = 0.000000000000000d0
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theta_angular_integration_lebedev(28) = 0.000000000000000d0
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theta_angular_integration_lebedev(29) = 180.000000000000000d0
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theta_angular_integration_lebedev(30) = 180.000000000000000d0
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theta_angular_integration_lebedev(31) = 90.000000000000000d0
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theta_angular_integration_lebedev(32) = 90.000000000000000d0
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theta_angular_integration_lebedev(33) = -90.000000000000000d0
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theta_angular_integration_lebedev(34) = -90.000000000000000d0
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theta_angular_integration_lebedev(35) = 90.000000000000000d0
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theta_angular_integration_lebedev(36) = 90.000000000000000d0
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theta_angular_integration_lebedev(37) = -90.000000000000000d0
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theta_angular_integration_lebedev(38) = -90.000000000000000d0
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phi_angular_integration_lebedev(1) = 90.000000000000000d0
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phi_angular_integration_lebedev(2) = 90.000000000000000d0
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phi_angular_integration_lebedev(3) = 90.000000000000000d0
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phi_angular_integration_lebedev(4) = 90.000000000000000d0
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phi_angular_integration_lebedev(5) = 0.000000000000000d0
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phi_angular_integration_lebedev(6) = 180.000000000000000d0
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phi_angular_integration_lebedev(7) = 54.735610317245346d0
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phi_angular_integration_lebedev(8) = 125.264389682754654d0
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phi_angular_integration_lebedev(9) = 54.735610317245346d0
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phi_angular_integration_lebedev(10) = 125.264389682754654d0
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phi_angular_integration_lebedev(11) = 54.735610317245346d0
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phi_angular_integration_lebedev(12) = 125.264389682754654d0
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phi_angular_integration_lebedev(13) = 54.735610317245346d0
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phi_angular_integration_lebedev(14) = 125.264389682754654d0
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phi_angular_integration_lebedev(15) = 90.000000000000000d0
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phi_angular_integration_lebedev(16) = 90.000000000000000d0
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phi_angular_integration_lebedev(17) = 90.000000000000000d0
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phi_angular_integration_lebedev(18) = 90.000000000000000d0
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phi_angular_integration_lebedev(19) = 90.000000000000000d0
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phi_angular_integration_lebedev(20) = 90.000000000000000d0
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phi_angular_integration_lebedev(21) = 90.000000000000000d0
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phi_angular_integration_lebedev(22) = 90.000000000000000d0
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phi_angular_integration_lebedev(23) = 27.367805158622673d0
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phi_angular_integration_lebedev(24) = 152.632194841377355d0
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phi_angular_integration_lebedev(25) = 27.367805158622673d0
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phi_angular_integration_lebedev(26) = 152.632194841377355d0
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phi_angular_integration_lebedev(27) = 62.632194841377327d0
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phi_angular_integration_lebedev(28) = 117.367805158622687d0
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phi_angular_integration_lebedev(29) = 62.632194841377327d0
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phi_angular_integration_lebedev(30) = 117.367805158622687d0
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phi_angular_integration_lebedev(31) = 27.367805158622673d0
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phi_angular_integration_lebedev(32) = 152.632194841377355d0
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phi_angular_integration_lebedev(33) = 27.367805158622673d0
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phi_angular_integration_lebedev(34) = 152.632194841377355d0
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phi_angular_integration_lebedev(35) = 62.632194841377327d0
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phi_angular_integration_lebedev(36) = 117.367805158622687d0
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phi_angular_integration_lebedev(37) = 62.632194841377327d0
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||
|
phi_angular_integration_lebedev(38) = 117.367805158622687d0
|
||
|
|
||
|
weights_angular_integration_lebedev(1) = 0.009523809523810d0
|
||
|
weights_angular_integration_lebedev(2) = 0.009523809523810d0
|
||
|
weights_angular_integration_lebedev(3) = 0.009523809523810d0
|
||
|
weights_angular_integration_lebedev(4) = 0.009523809523810d0
|
||
|
weights_angular_integration_lebedev(5) = 0.009523809523810d0
|
||
|
weights_angular_integration_lebedev(6) = 0.009523809523810d0
|
||
|
weights_angular_integration_lebedev(7) = 0.032142857142857d0
|
||
|
weights_angular_integration_lebedev(8) = 0.032142857142857d0
|
||
|
weights_angular_integration_lebedev(9) = 0.032142857142857d0
|
||
|
weights_angular_integration_lebedev(10) = 0.032142857142857d0
|
||
|
weights_angular_integration_lebedev(11) = 0.032142857142857d0
|
||
|
weights_angular_integration_lebedev(12) = 0.032142857142857d0
|
||
|
weights_angular_integration_lebedev(13) = 0.032142857142857d0
|
||
|
weights_angular_integration_lebedev(14) = 0.032142857142857d0
|
||
|
weights_angular_integration_lebedev(15) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(16) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(17) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(18) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(19) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(20) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(21) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(22) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(23) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(24) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(25) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(26) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(27) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(28) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(29) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(30) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(31) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(32) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(33) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(34) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(35) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(36) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(37) = 0.028571428571429d0
|
||
|
weights_angular_integration_lebedev(38) = 0.028571428571429d0
|
||
|
|
||
|
else if (degree_max_integration_lebedev == 11)then
|
||
|
|
||
|
|
||
|
theta_angular_integration_lebedev(1) = 0.000000000000000d0
|
||
|
theta_angular_integration_lebedev(2) = 180.000000000000000d0
|
||
|
theta_angular_integration_lebedev(3) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(4) = -90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(5) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(6) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(7) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(8) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(9) = -90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(10) = -90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(11) = 0.000000000000000d0
|
||
|
theta_angular_integration_lebedev(12) = 0.000000000000000d0
|
||
|
theta_angular_integration_lebedev(13) = 180.000000000000000d0
|
||
|
theta_angular_integration_lebedev(14) = 180.000000000000000d0
|
||
|
theta_angular_integration_lebedev(15) = 45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(16) = -45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(17) = 135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(18) = -135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(19) = 45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(20) = 45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(21) = -45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(22) = -45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(23) = 135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(24) = 135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(25) = -135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(26) = -135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(27) = 45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(28) = 45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(29) = -45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(30) = -45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(31) = 135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(32) = 135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(33) = -135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(34) = -135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(35) = 71.565051177077990d0
|
||
|
theta_angular_integration_lebedev(36) = -71.565051177077990d0
|
||
|
theta_angular_integration_lebedev(37) = 71.565051177077990d0
|
||
|
theta_angular_integration_lebedev(38) = -71.565051177077990d0
|
||
|
theta_angular_integration_lebedev(39) = 108.434948822922010d0
|
||
|
theta_angular_integration_lebedev(40) = -108.434948822922010d0
|
||
|
theta_angular_integration_lebedev(41) = 108.434948822922010d0
|
||
|
theta_angular_integration_lebedev(42) = -108.434948822922010d0
|
||
|
theta_angular_integration_lebedev(43) = 18.434948822922017d0
|
||
|
theta_angular_integration_lebedev(44) = 161.565051177078004d0
|
||
|
theta_angular_integration_lebedev(45) = 18.434948822922017d0
|
||
|
theta_angular_integration_lebedev(46) = 161.565051177078004d0
|
||
|
theta_angular_integration_lebedev(47) = -18.434948822922017d0
|
||
|
theta_angular_integration_lebedev(48) = -161.565051177078004d0
|
||
|
theta_angular_integration_lebedev(49) = -18.434948822922017d0
|
||
|
theta_angular_integration_lebedev(50) = -161.565051177078004d0
|
||
|
|
||
|
phi_angular_integration_lebedev(1) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(2) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(3) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(4) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(5) = 0.000000000000000d0
|
||
|
phi_angular_integration_lebedev(6) = 180.000000000000000d0
|
||
|
phi_angular_integration_lebedev(7) = 45.000000000000000d0
|
||
|
phi_angular_integration_lebedev(8) = 135.000000000000000d0
|
||
|
phi_angular_integration_lebedev(9) = 45.000000000000000d0
|
||
|
phi_angular_integration_lebedev(10) = 135.000000000000000d0
|
||
|
phi_angular_integration_lebedev(11) = 45.000000000000000d0
|
||
|
phi_angular_integration_lebedev(12) = 135.000000000000000d0
|
||
|
phi_angular_integration_lebedev(13) = 45.000000000000000d0
|
||
|
phi_angular_integration_lebedev(14) = 135.000000000000000d0
|
||
|
phi_angular_integration_lebedev(15) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(16) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(17) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(18) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(19) = 54.735610317245346d0
|
||
|
phi_angular_integration_lebedev(20) = 125.264389682754654d0
|
||
|
phi_angular_integration_lebedev(21) = 54.735610317245346d0
|
||
|
phi_angular_integration_lebedev(22) = 125.264389682754654d0
|
||
|
phi_angular_integration_lebedev(23) = 54.735610317245346d0
|
||
|
phi_angular_integration_lebedev(24) = 125.264389682754654d0
|
||
|
phi_angular_integration_lebedev(25) = 54.735610317245346d0
|
||
|
phi_angular_integration_lebedev(26) = 125.264389682754654d0
|
||
|
phi_angular_integration_lebedev(27) = 25.239401820678911d0
|
||
|
phi_angular_integration_lebedev(28) = 154.760598179321079d0
|
||
|
phi_angular_integration_lebedev(29) = 25.239401820678911d0
|
||
|
phi_angular_integration_lebedev(30) = 154.760598179321079d0
|
||
|
phi_angular_integration_lebedev(31) = 25.239401820678911d0
|
||
|
phi_angular_integration_lebedev(32) = 154.760598179321079d0
|
||
|
phi_angular_integration_lebedev(33) = 25.239401820678911d0
|
||
|
phi_angular_integration_lebedev(34) = 154.760598179321079d0
|
||
|
phi_angular_integration_lebedev(35) = 72.451599386207704d0
|
||
|
phi_angular_integration_lebedev(36) = 72.451599386207704d0
|
||
|
phi_angular_integration_lebedev(37) = 107.548400613792296d0
|
||
|
phi_angular_integration_lebedev(38) = 107.548400613792296d0
|
||
|
phi_angular_integration_lebedev(39) = 72.451599386207704d0
|
||
|
phi_angular_integration_lebedev(40) = 72.451599386207704d0
|
||
|
phi_angular_integration_lebedev(41) = 107.548400613792296d0
|
||
|
phi_angular_integration_lebedev(42) = 107.548400613792296d0
|
||
|
phi_angular_integration_lebedev(43) = 72.451599386207704d0
|
||
|
phi_angular_integration_lebedev(44) = 72.451599386207704d0
|
||
|
phi_angular_integration_lebedev(45) = 107.548400613792296d0
|
||
|
phi_angular_integration_lebedev(46) = 107.548400613792296d0
|
||
|
phi_angular_integration_lebedev(47) = 72.451599386207704d0
|
||
|
phi_angular_integration_lebedev(48) = 72.451599386207704d0
|
||
|
phi_angular_integration_lebedev(49) = 107.548400613792296d0
|
||
|
phi_angular_integration_lebedev(50) = 107.548400613792296d0
|
||
|
|
||
|
weights_angular_integration_lebedev(1) = 0.012698412698413d0
|
||
|
weights_angular_integration_lebedev(2) = 0.012698412698413d0
|
||
|
weights_angular_integration_lebedev(3) = 0.012698412698413d0
|
||
|
weights_angular_integration_lebedev(4) = 0.012698412698413d0
|
||
|
weights_angular_integration_lebedev(5) = 0.012698412698413d0
|
||
|
weights_angular_integration_lebedev(6) = 0.012698412698413d0
|
||
|
weights_angular_integration_lebedev(7) = 0.022574955908289d0
|
||
|
weights_angular_integration_lebedev(8) = 0.022574955908289d0
|
||
|
weights_angular_integration_lebedev(9) = 0.022574955908289d0
|
||
|
weights_angular_integration_lebedev(10) = 0.022574955908289d0
|
||
|
weights_angular_integration_lebedev(11) = 0.022574955908289d0
|
||
|
weights_angular_integration_lebedev(12) = 0.022574955908289d0
|
||
|
weights_angular_integration_lebedev(13) = 0.022574955908289d0
|
||
|
weights_angular_integration_lebedev(14) = 0.022574955908289d0
|
||
|
weights_angular_integration_lebedev(15) = 0.022574955908289d0
|
||
|
weights_angular_integration_lebedev(16) = 0.022574955908289d0
|
||
|
weights_angular_integration_lebedev(17) = 0.022574955908289d0
|
||
|
weights_angular_integration_lebedev(18) = 0.022574955908289d0
|
||
|
weights_angular_integration_lebedev(19) = 0.021093750000000d0
|
||
|
weights_angular_integration_lebedev(20) = 0.021093750000000d0
|
||
|
weights_angular_integration_lebedev(21) = 0.021093750000000d0
|
||
|
weights_angular_integration_lebedev(22) = 0.021093750000000d0
|
||
|
weights_angular_integration_lebedev(23) = 0.021093750000000d0
|
||
|
weights_angular_integration_lebedev(24) = 0.021093750000000d0
|
||
|
weights_angular_integration_lebedev(25) = 0.021093750000000d0
|
||
|
weights_angular_integration_lebedev(26) = 0.021093750000000d0
|
||
|
weights_angular_integration_lebedev(27) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(28) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(29) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(30) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(31) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(32) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(33) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(34) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(35) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(36) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(37) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(38) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(39) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(40) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(41) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(42) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(43) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(44) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(45) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(46) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(47) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(48) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(49) = 0.020173335537919d0
|
||
|
weights_angular_integration_lebedev(50) = 0.020173335537919d0
|
||
|
|
||
|
else if (degree_max_integration_lebedev == 13)then
|
||
|
|
||
|
|
||
|
theta_angular_integration_lebedev(1) = 0.000000000000000d0
|
||
|
theta_angular_integration_lebedev(2) = 180.000000000000000d0
|
||
|
theta_angular_integration_lebedev(3) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(4) = -90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(5) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(6) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(7) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(8) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(9) = -90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(10) = -90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(11) = 0.000000000000000d0
|
||
|
theta_angular_integration_lebedev(12) = 0.000000000000000d0
|
||
|
theta_angular_integration_lebedev(13) = 180.000000000000000d0
|
||
|
theta_angular_integration_lebedev(14) = 180.000000000000000d0
|
||
|
theta_angular_integration_lebedev(15) = 45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(16) = -45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(17) = 135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(18) = -135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(19) = 45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(20) = 45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(21) = -45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(22) = -45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(23) = 135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(24) = 135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(25) = -135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(26) = -135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(27) = 45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(28) = 45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(29) = -45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(30) = -45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(31) = 135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(32) = 135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(33) = -135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(34) = -135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(35) = 56.789089239100910d0
|
||
|
theta_angular_integration_lebedev(36) = -56.789089239100910d0
|
||
|
theta_angular_integration_lebedev(37) = 56.789089239100910d0
|
||
|
theta_angular_integration_lebedev(38) = -56.789089239100910d0
|
||
|
theta_angular_integration_lebedev(39) = 123.210910760899083d0
|
||
|
theta_angular_integration_lebedev(40) = -123.210910760899083d0
|
||
|
theta_angular_integration_lebedev(41) = 123.210910760899083d0
|
||
|
theta_angular_integration_lebedev(42) = -123.210910760899083d0
|
||
|
theta_angular_integration_lebedev(43) = 33.210910760899083d0
|
||
|
theta_angular_integration_lebedev(44) = 146.789089239100917d0
|
||
|
theta_angular_integration_lebedev(45) = 33.210910760899083d0
|
||
|
theta_angular_integration_lebedev(46) = 146.789089239100917d0
|
||
|
theta_angular_integration_lebedev(47) = -33.210910760899083d0
|
||
|
theta_angular_integration_lebedev(48) = -146.789089239100917d0
|
||
|
theta_angular_integration_lebedev(49) = -33.210910760899083d0
|
||
|
theta_angular_integration_lebedev(50) = -146.789089239100917d0
|
||
|
theta_angular_integration_lebedev(51) = 71.290342151652581d0
|
||
|
theta_angular_integration_lebedev(52) = -71.290342151652581d0
|
||
|
theta_angular_integration_lebedev(53) = 108.709657848347433d0
|
||
|
theta_angular_integration_lebedev(54) = -108.709657848347433d0
|
||
|
theta_angular_integration_lebedev(55) = 18.709657848347415d0
|
||
|
theta_angular_integration_lebedev(56) = -18.709657848347415d0
|
||
|
theta_angular_integration_lebedev(57) = 161.290342151652595d0
|
||
|
theta_angular_integration_lebedev(58) = -161.290342151652595d0
|
||
|
theta_angular_integration_lebedev(59) = 0.000000000000000d0
|
||
|
theta_angular_integration_lebedev(60) = 0.000000000000000d0
|
||
|
theta_angular_integration_lebedev(61) = 180.000000000000000d0
|
||
|
theta_angular_integration_lebedev(62) = 180.000000000000000d0
|
||
|
theta_angular_integration_lebedev(63) = 0.000000000000000d0
|
||
|
theta_angular_integration_lebedev(64) = 0.000000000000000d0
|
||
|
theta_angular_integration_lebedev(65) = 180.000000000000000d0
|
||
|
theta_angular_integration_lebedev(66) = 180.000000000000000d0
|
||
|
theta_angular_integration_lebedev(67) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(68) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(69) = -90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(70) = -90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(71) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(72) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(73) = -90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(74) = -90.000000000000000d0
|
||
|
|
||
|
phi_angular_integration_lebedev(1) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(2) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(3) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(4) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(5) = 0.000000000000000d0
|
||
|
phi_angular_integration_lebedev(6) = 180.000000000000000d0
|
||
|
phi_angular_integration_lebedev(7) = 45.000000000000000d0
|
||
|
phi_angular_integration_lebedev(8) = 135.000000000000000d0
|
||
|
phi_angular_integration_lebedev(9) = 45.000000000000000d0
|
||
|
phi_angular_integration_lebedev(10) = 135.000000000000000d0
|
||
|
phi_angular_integration_lebedev(11) = 45.000000000000000d0
|
||
|
phi_angular_integration_lebedev(12) = 135.000000000000000d0
|
||
|
phi_angular_integration_lebedev(13) = 45.000000000000000d0
|
||
|
phi_angular_integration_lebedev(14) = 135.000000000000000d0
|
||
|
phi_angular_integration_lebedev(15) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(16) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(17) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(18) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(19) = 54.735610317245346d0
|
||
|
phi_angular_integration_lebedev(20) = 125.264389682754654d0
|
||
|
phi_angular_integration_lebedev(21) = 54.735610317245346d0
|
||
|
phi_angular_integration_lebedev(22) = 125.264389682754654d0
|
||
|
phi_angular_integration_lebedev(23) = 54.735610317245346d0
|
||
|
phi_angular_integration_lebedev(24) = 125.264389682754654d0
|
||
|
phi_angular_integration_lebedev(25) = 54.735610317245346d0
|
||
|
phi_angular_integration_lebedev(26) = 125.264389682754654d0
|
||
|
phi_angular_integration_lebedev(27) = 42.794137107114921d0
|
||
|
phi_angular_integration_lebedev(28) = 137.205862892885108d0
|
||
|
phi_angular_integration_lebedev(29) = 42.794137107114921d0
|
||
|
phi_angular_integration_lebedev(30) = 137.205862892885108d0
|
||
|
phi_angular_integration_lebedev(31) = 42.794137107114921d0
|
||
|
phi_angular_integration_lebedev(32) = 137.205862892885108d0
|
||
|
phi_angular_integration_lebedev(33) = 42.794137107114921d0
|
||
|
phi_angular_integration_lebedev(34) = 137.205862892885108d0
|
||
|
phi_angular_integration_lebedev(35) = 61.289485196402069d0
|
||
|
phi_angular_integration_lebedev(36) = 61.289485196402069d0
|
||
|
phi_angular_integration_lebedev(37) = 118.710514803597945d0
|
||
|
phi_angular_integration_lebedev(38) = 118.710514803597945d0
|
||
|
phi_angular_integration_lebedev(39) = 61.289485196402069d0
|
||
|
phi_angular_integration_lebedev(40) = 61.289485196402069d0
|
||
|
phi_angular_integration_lebedev(41) = 118.710514803597945d0
|
||
|
phi_angular_integration_lebedev(42) = 118.710514803597945d0
|
||
|
phi_angular_integration_lebedev(43) = 61.289485196402069d0
|
||
|
phi_angular_integration_lebedev(44) = 61.289485196402069d0
|
||
|
phi_angular_integration_lebedev(45) = 118.710514803597945d0
|
||
|
phi_angular_integration_lebedev(46) = 118.710514803597945d0
|
||
|
phi_angular_integration_lebedev(47) = 61.289485196402069d0
|
||
|
phi_angular_integration_lebedev(48) = 61.289485196402069d0
|
||
|
phi_angular_integration_lebedev(49) = 118.710514803597945d0
|
||
|
phi_angular_integration_lebedev(50) = 118.710514803597945d0
|
||
|
phi_angular_integration_lebedev(51) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(52) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(53) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(54) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(55) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(56) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(57) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(58) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(59) = 18.709657848347415d0
|
||
|
phi_angular_integration_lebedev(60) = 161.290342151652595d0
|
||
|
phi_angular_integration_lebedev(61) = 18.709657848347415d0
|
||
|
phi_angular_integration_lebedev(62) = 161.290342151652595d0
|
||
|
phi_angular_integration_lebedev(63) = 71.290342151652581d0
|
||
|
phi_angular_integration_lebedev(64) = 108.709657848347433d0
|
||
|
phi_angular_integration_lebedev(65) = 71.290342151652581d0
|
||
|
phi_angular_integration_lebedev(66) = 108.709657848347433d0
|
||
|
phi_angular_integration_lebedev(67) = 18.709657848347415d0
|
||
|
phi_angular_integration_lebedev(68) = 161.290342151652595d0
|
||
|
phi_angular_integration_lebedev(69) = 18.709657848347415d0
|
||
|
phi_angular_integration_lebedev(70) = 161.290342151652595d0
|
||
|
phi_angular_integration_lebedev(71) = 71.290342151652581d0
|
||
|
phi_angular_integration_lebedev(72) = 108.709657848347433d0
|
||
|
phi_angular_integration_lebedev(73) = 71.290342151652581d0
|
||
|
phi_angular_integration_lebedev(74) = 108.709657848347433d0
|
||
|
|
||
|
weights_angular_integration_lebedev(1) = 0.000513067179734d0
|
||
|
weights_angular_integration_lebedev(2) = 0.000513067179734d0
|
||
|
weights_angular_integration_lebedev(3) = 0.000513067179734d0
|
||
|
weights_angular_integration_lebedev(4) = 0.000513067179734d0
|
||
|
weights_angular_integration_lebedev(5) = 0.000513067179734d0
|
||
|
weights_angular_integration_lebedev(6) = 0.000513067179734d0
|
||
|
weights_angular_integration_lebedev(7) = 0.016604069565742d0
|
||
|
weights_angular_integration_lebedev(8) = 0.016604069565742d0
|
||
|
weights_angular_integration_lebedev(9) = 0.016604069565742d0
|
||
|
weights_angular_integration_lebedev(10) = 0.016604069565742d0
|
||
|
weights_angular_integration_lebedev(11) = 0.016604069565742d0
|
||
|
weights_angular_integration_lebedev(12) = 0.016604069565742d0
|
||
|
weights_angular_integration_lebedev(13) = 0.016604069565742d0
|
||
|
weights_angular_integration_lebedev(14) = 0.016604069565742d0
|
||
|
weights_angular_integration_lebedev(15) = 0.016604069565742d0
|
||
|
weights_angular_integration_lebedev(16) = 0.016604069565742d0
|
||
|
weights_angular_integration_lebedev(17) = 0.016604069565742d0
|
||
|
weights_angular_integration_lebedev(18) = 0.016604069565742d0
|
||
|
weights_angular_integration_lebedev(19) = -0.029586038961039d0
|
||
|
weights_angular_integration_lebedev(20) = -0.029586038961039d0
|
||
|
weights_angular_integration_lebedev(21) = -0.029586038961039d0
|
||
|
weights_angular_integration_lebedev(22) = -0.029586038961039d0
|
||
|
weights_angular_integration_lebedev(23) = -0.029586038961039d0
|
||
|
weights_angular_integration_lebedev(24) = -0.029586038961039d0
|
||
|
weights_angular_integration_lebedev(25) = -0.029586038961039d0
|
||
|
weights_angular_integration_lebedev(26) = -0.029586038961039d0
|
||
|
weights_angular_integration_lebedev(27) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(28) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(29) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(30) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(31) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(32) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(33) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(34) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(35) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(36) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(37) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(38) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(39) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(40) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(41) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(42) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(43) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(44) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(45) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(46) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(47) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(48) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(49) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(50) = 0.026576207082159d0
|
||
|
weights_angular_integration_lebedev(51) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(52) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(53) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(54) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(55) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(56) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(57) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(58) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(59) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(60) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(61) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(62) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(63) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(64) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(65) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(66) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(67) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(68) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(69) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(70) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(71) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(72) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(73) = 0.016522170993716d0
|
||
|
weights_angular_integration_lebedev(74) = 0.016522170993716d0
|
||
|
|
||
|
else if (degree_max_integration_lebedev == 15)then
|
||
|
|
||
|
theta_angular_integration_lebedev(1) = 0.000000000000000d0
|
||
|
theta_angular_integration_lebedev(2) = 180.000000000000000d0
|
||
|
theta_angular_integration_lebedev(3) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(4) = -90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(5) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(6) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(7) = 45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(8) = 45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(9) = -45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(10) = -45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(11) = 135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(12) = 135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(13) = -135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(14) = -135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(15) = 45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(16) = 45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(17) = -45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(18) = -45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(19) = 135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(20) = 135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(21) = -135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(22) = -135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(23) = 66.561222392026522d0
|
||
|
theta_angular_integration_lebedev(24) = -66.561222392026522d0
|
||
|
theta_angular_integration_lebedev(25) = 66.561222392026522d0
|
||
|
theta_angular_integration_lebedev(26) = -66.561222392026522d0
|
||
|
theta_angular_integration_lebedev(27) = 113.438777607973492d0
|
||
|
theta_angular_integration_lebedev(28) = -113.438777607973492d0
|
||
|
theta_angular_integration_lebedev(29) = 113.438777607973492d0
|
||
|
theta_angular_integration_lebedev(30) = -113.438777607973492d0
|
||
|
theta_angular_integration_lebedev(31) = 23.438777607973478d0
|
||
|
theta_angular_integration_lebedev(32) = 156.561222392026536d0
|
||
|
theta_angular_integration_lebedev(33) = 23.438777607973478d0
|
||
|
theta_angular_integration_lebedev(34) = 156.561222392026536d0
|
||
|
theta_angular_integration_lebedev(35) = -23.438777607973478d0
|
||
|
theta_angular_integration_lebedev(36) = -156.561222392026536d0
|
||
|
theta_angular_integration_lebedev(37) = -23.438777607973478d0
|
||
|
theta_angular_integration_lebedev(38) = -156.561222392026536d0
|
||
|
theta_angular_integration_lebedev(39) = 45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(40) = 45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(41) = -45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(42) = -45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(43) = 135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(44) = 135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(45) = -135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(46) = -135.000000000000000d0
|
||
|
theta_angular_integration_lebedev(47) = 15.231635441931418d0
|
||
|
theta_angular_integration_lebedev(48) = -15.231635441931418d0
|
||
|
theta_angular_integration_lebedev(49) = 15.231635441931418d0
|
||
|
theta_angular_integration_lebedev(50) = -15.231635441931418d0
|
||
|
theta_angular_integration_lebedev(51) = 164.768364558068583d0
|
||
|
theta_angular_integration_lebedev(52) = -164.768364558068583d0
|
||
|
theta_angular_integration_lebedev(53) = 164.768364558068583d0
|
||
|
theta_angular_integration_lebedev(54) = -164.768364558068583d0
|
||
|
theta_angular_integration_lebedev(55) = 74.768364558068569d0
|
||
|
theta_angular_integration_lebedev(56) = 105.231635441931431d0
|
||
|
theta_angular_integration_lebedev(57) = 74.768364558068569d0
|
||
|
theta_angular_integration_lebedev(58) = 105.231635441931431d0
|
||
|
theta_angular_integration_lebedev(59) = -74.768364558068569d0
|
||
|
theta_angular_integration_lebedev(60) = -105.231635441931431d0
|
||
|
theta_angular_integration_lebedev(61) = -74.768364558068569d0
|
||
|
theta_angular_integration_lebedev(62) = -105.231635441931431d0
|
||
|
theta_angular_integration_lebedev(63) = 68.022464238570777d0
|
||
|
theta_angular_integration_lebedev(64) = -68.022464238570777d0
|
||
|
theta_angular_integration_lebedev(65) = 111.977535761429237d0
|
||
|
theta_angular_integration_lebedev(66) = -111.977535761429237d0
|
||
|
theta_angular_integration_lebedev(67) = 21.977535761429227d0
|
||
|
theta_angular_integration_lebedev(68) = -21.977535761429227d0
|
||
|
theta_angular_integration_lebedev(69) = 158.022464238570763d0
|
||
|
theta_angular_integration_lebedev(70) = -158.022464238570763d0
|
||
|
theta_angular_integration_lebedev(71) = 0.000000000000000d0
|
||
|
theta_angular_integration_lebedev(72) = 0.000000000000000d0
|
||
|
theta_angular_integration_lebedev(73) = 180.000000000000000d0
|
||
|
theta_angular_integration_lebedev(74) = 180.000000000000000d0
|
||
|
theta_angular_integration_lebedev(75) = 0.000000000000000d0
|
||
|
theta_angular_integration_lebedev(76) = 0.000000000000000d0
|
||
|
theta_angular_integration_lebedev(77) = 180.000000000000000d0
|
||
|
theta_angular_integration_lebedev(78) = 180.000000000000000d0
|
||
|
theta_angular_integration_lebedev(79) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(80) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(81) = -90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(82) = -90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(83) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(84) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(85) = -90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(86) = -90.000000000000000d0
|
||
|
|
||
|
phi_angular_integration_lebedev(1) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(2) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(3) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(4) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(5) = 0.000000000000000d0
|
||
|
phi_angular_integration_lebedev(6) = 180.000000000000000d0
|
||
|
phi_angular_integration_lebedev(7) = 54.735610317245346d0
|
||
|
phi_angular_integration_lebedev(8) = 125.264389682754654d0
|
||
|
phi_angular_integration_lebedev(9) = 54.735610317245346d0
|
||
|
phi_angular_integration_lebedev(10) = 125.264389682754654d0
|
||
|
phi_angular_integration_lebedev(11) = 54.735610317245346d0
|
||
|
phi_angular_integration_lebedev(12) = 125.264389682754654d0
|
||
|
phi_angular_integration_lebedev(13) = 54.735610317245346d0
|
||
|
phi_angular_integration_lebedev(14) = 125.264389682754654d0
|
||
|
phi_angular_integration_lebedev(15) = 31.513359490876244d0
|
||
|
phi_angular_integration_lebedev(16) = 148.486640509123760d0
|
||
|
phi_angular_integration_lebedev(17) = 31.513359490876244d0
|
||
|
phi_angular_integration_lebedev(18) = 148.486640509123760d0
|
||
|
phi_angular_integration_lebedev(19) = 31.513359490876244d0
|
||
|
phi_angular_integration_lebedev(20) = 148.486640509123760d0
|
||
|
phi_angular_integration_lebedev(21) = 31.513359490876244d0
|
||
|
phi_angular_integration_lebedev(22) = 148.486640509123760d0
|
||
|
phi_angular_integration_lebedev(23) = 68.308874114180426d0
|
||
|
phi_angular_integration_lebedev(24) = 68.308874114180426d0
|
||
|
phi_angular_integration_lebedev(25) = 111.691125885819588d0
|
||
|
phi_angular_integration_lebedev(26) = 111.691125885819588d0
|
||
|
phi_angular_integration_lebedev(27) = 68.308874114180426d0
|
||
|
phi_angular_integration_lebedev(28) = 68.308874114180426d0
|
||
|
phi_angular_integration_lebedev(29) = 111.691125885819588d0
|
||
|
phi_angular_integration_lebedev(30) = 111.691125885819588d0
|
||
|
phi_angular_integration_lebedev(31) = 68.308874114180426d0
|
||
|
phi_angular_integration_lebedev(32) = 68.308874114180426d0
|
||
|
phi_angular_integration_lebedev(33) = 111.691125885819588d0
|
||
|
phi_angular_integration_lebedev(34) = 111.691125885819588d0
|
||
|
phi_angular_integration_lebedev(35) = 68.308874114180426d0
|
||
|
phi_angular_integration_lebedev(36) = 68.308874114180426d0
|
||
|
phi_angular_integration_lebedev(37) = 111.691125885819588d0
|
||
|
phi_angular_integration_lebedev(38) = 111.691125885819588d0
|
||
|
phi_angular_integration_lebedev(39) = 79.101860732695940d0
|
||
|
phi_angular_integration_lebedev(40) = 100.898139267304060d0
|
||
|
phi_angular_integration_lebedev(41) = 79.101860732695940d0
|
||
|
phi_angular_integration_lebedev(42) = 100.898139267304060d0
|
||
|
phi_angular_integration_lebedev(43) = 79.101860732695940d0
|
||
|
phi_angular_integration_lebedev(44) = 100.898139267304060d0
|
||
|
phi_angular_integration_lebedev(45) = 79.101860732695940d0
|
||
|
phi_angular_integration_lebedev(46) = 100.898139267304060d0
|
||
|
phi_angular_integration_lebedev(47) = 46.024237785326378d0
|
||
|
phi_angular_integration_lebedev(48) = 46.024237785326378d0
|
||
|
phi_angular_integration_lebedev(49) = 133.975762214673637d0
|
||
|
phi_angular_integration_lebedev(50) = 133.975762214673637d0
|
||
|
phi_angular_integration_lebedev(51) = 46.024237785326378d0
|
||
|
phi_angular_integration_lebedev(52) = 46.024237785326378d0
|
||
|
phi_angular_integration_lebedev(53) = 133.975762214673637d0
|
||
|
phi_angular_integration_lebedev(54) = 133.975762214673637d0
|
||
|
phi_angular_integration_lebedev(55) = 46.024237785326378d0
|
||
|
phi_angular_integration_lebedev(56) = 46.024237785326378d0
|
||
|
phi_angular_integration_lebedev(57) = 133.975762214673637d0
|
||
|
phi_angular_integration_lebedev(58) = 133.975762214673637d0
|
||
|
phi_angular_integration_lebedev(59) = 46.024237785326378d0
|
||
|
phi_angular_integration_lebedev(60) = 46.024237785326378d0
|
||
|
phi_angular_integration_lebedev(61) = 133.975762214673637d0
|
||
|
phi_angular_integration_lebedev(62) = 133.975762214673637d0
|
||
|
phi_angular_integration_lebedev(63) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(64) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(65) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(66) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(67) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(68) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(69) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(70) = 90.000000000000000d0
|
||
|
phi_angular_integration_lebedev(71) = 21.977535761429227d0
|
||
|
phi_angular_integration_lebedev(72) = 158.022464238570763d0
|
||
|
phi_angular_integration_lebedev(73) = 21.977535761429227d0
|
||
|
phi_angular_integration_lebedev(74) = 158.022464238570763d0
|
||
|
phi_angular_integration_lebedev(75) = 68.022464238570777d0
|
||
|
phi_angular_integration_lebedev(76) = 111.977535761429237d0
|
||
|
phi_angular_integration_lebedev(77) = 68.022464238570777d0
|
||
|
phi_angular_integration_lebedev(78) = 111.977535761429237d0
|
||
|
phi_angular_integration_lebedev(79) = 21.977535761429227d0
|
||
|
phi_angular_integration_lebedev(80) = 158.022464238570763d0
|
||
|
phi_angular_integration_lebedev(81) = 21.977535761429227d0
|
||
|
phi_angular_integration_lebedev(82) = 158.022464238570763d0
|
||
|
phi_angular_integration_lebedev(83) = 68.022464238570777d0
|
||
|
phi_angular_integration_lebedev(84) = 111.977535761429237d0
|
||
|
phi_angular_integration_lebedev(85) = 68.022464238570777d0
|
||
|
phi_angular_integration_lebedev(86) = 111.977535761429237d0
|
||
|
|
||
|
weights_angular_integration_lebedev(1) = 0.011544011544012d0
|
||
|
weights_angular_integration_lebedev(2) = 0.011544011544012d0
|
||
|
weights_angular_integration_lebedev(3) = 0.011544011544012d0
|
||
|
weights_angular_integration_lebedev(4) = 0.011544011544012d0
|
||
|
weights_angular_integration_lebedev(5) = 0.011544011544012d0
|
||
|
weights_angular_integration_lebedev(6) = 0.011544011544012d0
|
||
|
weights_angular_integration_lebedev(7) = 0.011943909085856d0
|
||
|
weights_angular_integration_lebedev(8) = 0.011943909085856d0
|
||
|
weights_angular_integration_lebedev(9) = 0.011943909085856d0
|
||
|
weights_angular_integration_lebedev(10) = 0.011943909085856d0
|
||
|
weights_angular_integration_lebedev(11) = 0.011943909085856d0
|
||
|
weights_angular_integration_lebedev(12) = 0.011943909085856d0
|
||
|
weights_angular_integration_lebedev(13) = 0.011943909085856d0
|
||
|
weights_angular_integration_lebedev(14) = 0.011943909085856d0
|
||
|
weights_angular_integration_lebedev(15) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(16) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(17) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(18) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(19) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(20) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(21) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(22) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(23) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(24) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(25) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(26) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(27) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(28) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(29) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(30) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(31) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(32) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(33) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(34) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(35) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(36) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(37) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(38) = 0.011110555710603d0
|
||
|
weights_angular_integration_lebedev(39) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(40) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(41) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(42) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(43) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(44) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(45) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(46) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(47) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(48) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(49) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(50) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(51) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(52) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(53) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(54) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(55) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(56) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(57) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(58) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(59) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(60) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(61) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(62) = 0.011876501294537d0
|
||
|
weights_angular_integration_lebedev(63) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(64) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(65) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(66) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(67) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(68) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(69) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(70) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(71) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(72) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(73) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(74) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(75) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(76) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(77) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(78) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(79) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(80) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(81) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(82) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(83) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(84) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(85) = 0.011812303746904d0
|
||
|
weights_angular_integration_lebedev(86) = 0.011812303746904d0
|
||
|
|
||
|
else if (degree_max_integration_lebedev == 17)then
|
||
|
|
||
|
|
||
|
theta_angular_integration_lebedev(1) = 0.000000000000000d0
|
||
|
theta_angular_integration_lebedev(2) = 180.000000000000000d0
|
||
|
theta_angular_integration_lebedev(3) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(4) = -90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(5) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(6) = 90.000000000000000d0
|
||
|
theta_angular_integration_lebedev(7) = 45.000000000000000d0
|
||
|
theta_angular_integration_lebedev(8) = 45.000000000000000d0
|
||
|
theta_angular_integrati |