[Q-e-developers] changes in Modules/funct.f90 (set_dft_from_name)

Pietro Delugas delugas at dsf.unica.it
Wed Apr 4 12:09:54 CEST 2012


Hello

I noticed that in version 4.3.1 the routine set_dft_from_name assigns to 
dft='PW91' the correlation icorr=1 (i.e.  Perdew Zunger)  instead of 
icorr=4 (Perdew Wang).
Is this a wanted change ?


regards  Pietro Delugas




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