kohn_sham.F90 File Reference

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Modules
module	kohn_sham

Variables
character(256), save	kohn_sham::calculation
	Calculation mode. More...
integer, save	kohn_sham::nbnd
	Number of bands. More...
real(8), save	kohn_sham::ef = 0.0d0
	Fermi energy [Htr]. More...
real(8), dimension(:,:), allocatable, save	kohn_sham::eval
	(nbnd,nk) Kohn-Sham eigenvalue (energy) More...
complex(8), dimension(:,:,:), allocatable, save	kohn_sham::evec
	(g_wfnpw,nbnd,nk) Kohn-Sham eigenvector (orbital) More...