scf.F90 File Reference

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Modules
module	scf

Functions/Subroutines
subroutine	scf::scf_loop ()
subroutine	scf::kohn_sham_eq (linit, Fvec)
subroutine	scf::initialize_wf (psi)
	Initialize wave function with random number. More...

Variables
integer, save	scf::electron_maxstep
	Max number of iteration. More...
real(8), save	scf::mixing_beta
	Mixing for SCF. More...
real(8), save	scf::conv_thr
	Convergence threshold [Htr]. More...