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obtain the wavefunction from vasp
Posted: Wed Apr 26, 2006 7:13 pm
by yita
I just need the Bloch wavefunction based on vasp calculations for future use. How can I output the wavefunction through modifying the source ? WAVECAR only contains the coefficients of wavefunction without G-vectors. Are the G-vector index stored in WDES%IGX, IGY, and IGZ? Any help is appreciated!
Re: obtain the wavefunction from vasp
Posted: Wed Sep 11, 2024 1:27 pm
by support_vasp
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP