qs_eht_guess Module Reference

Generate an initial guess (dm and orb) from EHT calculation. More...

Functions/Subroutines
subroutine, public	calculate_eht_guess (qs_env, mo_array)
	EHT MO guess calclulation.

Detailed Description

Generate an initial guess (dm and orb) from EHT calculation.

Function/Subroutine Documentation

calculate_eht_guess()

subroutine, public qs_eht_guess::calculate_eht_guess	(	type(qs_environment_type), pointer	qs_env,
		type(mo_set_type), dimension(:), pointer	mo_array
	)

EHT MO guess calclulation.

Parameters

qs_env	...
mo_array	...

Definition at line 80 of file qs_eht_guess.F.

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