[gpaw-users] QP WAVEFUNCTIONS

Martin Spenke martinspenke at yahoo.de
Tue Mar 31 07:55:30 CEST 2015


Dear all, 
1) Is it in GPAW possible to build up the BSE matrix using the calculated quasi particle wave functions instead of the KS-WFs? If yes, How ?2) Is a dynamical BSE kernel in GPAW available or will be available to tackle the issue of double excitations for molecular systems ?
BestsMartin
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