[CP2K-user] [CP2K:21435] calculating work function for non-orthogonal system
'Sohini Khan' via cp2k
cp2k at googlegroups.com
Mon May 5 15:56:30 UTC 2025
Hi,
I have found that work function calculation is possible by post processing
.cube file (from cp2k) but this is limited to orthogonal system only (using
cubecruncher), can anyone suggest me how to do it for non-orthogonal system?
Thanks and Regards,
Sohini Khan
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