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calculating work function for non-orthogonal system
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Sohini Khan
May 5, 2025, 12:54:03 PMMay 5
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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,
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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