Hi
i am using VASP to generate input files for wannier90 and for this i am using the method available in the following VASP example
https://cms.mpi.univie.ac.at/wiki/index.php/Bandstructure_of_Si_in_GW_(VASP2WANNIER90)
But sometimes it works and i get exactly the same band structure as from VASP but sometimes not, specially for topological systems, i face this problem. Can someone please tell me a more sufficient way which give me accurate results?
Hello Ali,
To make band structure match to startdard DFT calculation, you may need manual selection MLWF by choosing parameters for
Begin projections
...
End projections
thanks for your answer but i have already done this. there is no improvement. As i said, for simple system its fine but not for complex!
- Badges
- Science topic
- Similar topics
- Physics
- Condensed Matter Physics