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qp_plugins_scemama/devel/sr_correction/sr_correction.irp.f
2023-10-17 00:29:34 +02:00

27 lines
731 B
Fortran

program sr_correction_opt_psi
implicit none
read_wf = .True.
use_only_lr = .False.
SOFT_TOUCH read_wf use_only_lr
call run
end
subroutine run
implicit none
print *, '---'
print *, 'mu', mu_erf
print *, 'E(mu)', energy_mu
print *, '---'
print *, 'W_bar(mu)', correction_mu
print *, 'E(mu) + <W_bar(mu)>', energy_mu + correction_mu
print *, '---'
print *, 'alpha_0', alpha_coef(0)
print *, 'correction 0', correction_alpha_0
print *, 'E(mu) + alpha_0 <W_bar(mu)> = ', energy_mu + correction_alpha_0
print *, '---'
print *, 'alpha_1', alpha_coef(1)
print *, 'correction 1', correction_alpha_1
print *, 'E(mu) + alpha_0 <W_bar(mu)>_s + alpha_1 <W_bar(mu)>_t = ', energy_mu + correction_alpha_1
print *, '---'
end