integer,parameter :: nspin = 2 integer,parameter :: maxShell = 50 integer,parameter :: n1eInt = 3 integer,parameter :: n2eInt = 4 integer,parameter :: n3eInt = 3 integer,parameter :: n4eInt = 3 integer,parameter :: maxK = 20 double precision,parameter :: pi = acos(-1d0) double precision,parameter :: HaToeV = 27.21138602d0 double precision,parameter :: pmtoau = 0.0188973d0