obtain the wavefunction from vasp
Posted: Wed Apr 26, 2006 7:13 pm
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!