I had been searching for this and I think I found the appropriate response in the code (v 5.3.5), so presenting it here on confirm and for others reference if redress.
The components are composed in double configuration to the WAVEDER document (and can be composed in content arrangement by ...
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- Tue Jul 18, 2017 11:22 am
- Forum: VTSTTools
- Topic: How to calculate dipole matrix element in VASP
- Replies: 2
- Views: 20329