et_coupling Module Reference

calculates the electron transfer coupling elements Wu, Van Voorhis, JCP 125, 164105 (2006) More...

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

Detailed Description

calculates the electron transfer coupling elements Wu, Van Voorhis, JCP 125, 164105 (2006)

Author

fschiff (01.2007)

Function/Subroutine Documentation

calc_et_coupling()

subroutine, public et_coupling::calc_et_coupling

(

type(qs_environment_type), pointer

qs_env

)

...

Parameters

qs_env

...

Definition at line 62 of file et_coupling.F.

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