Search found 2 matches

by wojciech
Fri Feb 19, 2016 9:36 pm
Forum: tsase
Topic: GPAW with Hirshfeld analysis
Replies: 1
Views: 17992

Re: GPAW with Hirshfeld analysis

Hi again,

Delete this post please. Answer was obvious:



print cc.get_effective_volume_ratios()



sorry for spoiling forum,

Regards,

Wojciech
by wojciech
Fri Feb 19, 2016 6:40 pm
Forum: tsase
Topic: GPAW with Hirshfeld analysis
Replies: 1
Views: 17992

GPAW with Hirshfeld analysis

Hi all, This is my first post and I don't know if I'm in right place for asking such kind of question so please, be patient. I'm trying to perform Hirshfeld volumes analysis via ASE/GPAW. I writed input code for first test. GPAW performed calculations but I can't see Hirshfeld volumes in the output....