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VASP Finder
VASP Finder
1:18 AM
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Q: How can I apply symmetry operations to wavefunctions obtained via VASP to map them to the whole BZ from the irreducible wedge?

RyanI have developed a Python tool that extracts the plane wave coefficients and Gvectors from a WAVECAR file and I'm able to get the real space wavefunction for that particular Bloch state with a Fourier transform. I want to be able to get the wavefunction and/or plane wave coefficients for a symmet...

density-functional-theory vasp
 

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