Hi again,
Delete this post please. Answer was obvious:
print cc.get_effective_volume_ratios()
sorry for spoiling forum,
Regards,
Wojciech
Search found 2 matches
- Fri Feb 19, 2016 9:36 pm
- Forum: tsase
- Topic: GPAW with Hirshfeld analysis
- Replies: 1
- Views: 61416
- Fri Feb 19, 2016 6:40 pm
- Forum: tsase
- Topic: GPAW with Hirshfeld analysis
- Replies: 1
- Views: 61416
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 ...
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 ...