qs_electric_field_gradient Module Reference

Calculates electric field gradients H.M. Petrili, P.E. Blochl, P. Blaha, K. Schwarz, PRB 57, 14690 (1998) More...

Functions/Subroutines
subroutine, public	qs_efg_calc (qs_env)
	... More...

Detailed Description

Calculates electric field gradients H.M. Petrili, P.E. Blochl, P. Blaha, K. Schwarz, PRB 57, 14690 (1998)

History

12.2007 Added checksum for interpolation regtest [rdeclerck]

Author

JGH (03-05-2006)

Function/Subroutine Documentation

qs_efg_calc()

subroutine, public qs_electric_field_gradient::qs_efg_calc

(

type(qs_environment_type), pointer

qs_env

)

...

Parameters

qs_env

...

Definition at line 83 of file qs_electric_field_gradient.F.

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