obtain the wavefunction from vasp
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obtain the wavefunction from vasp
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!
Last edited by yita on Wed Apr 26, 2006 7:13 pm, edited 1 time in total.