qs_scf_initialization.F File Reference

#include "./base/base_uses.f90"

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Modules
module	qs_scf_initialization
	Utility routines for qs_scf.

Functions/Subroutines
subroutine, public	qs_scf_initialization::qs_scf_env_initialize (qs_env, scf_env, scf_control, scf_section)
	initializes input parameters if needed or restores values from previous runs to fill scf_env with the values required for scf
subroutine, public	qs_scf_initialization::qs_scf_env_init_basic (qs_env, scf_env)
	initializes input parameters if needed for non-scf calclulations using diagonalization