# Band structure calculation

I want to do band structure calculation of Magnesium silicide for GGA in VASP. Can anyone please help how to do this by setting initial INCAR tags and KPOINTS file? Thanks!

## 1 Answer

I assume your structure is relaxed.

• The 1st step: self-consistent calculation to obtain converged charge density (uniform K mesh).

• The 2nd step: non-self-consistent calculation to obtain the eigenvalue along a high symmetry path by reading previous converged charge density.

PS: you can generate the high symmetry path with VASPKIT.

Hope it helps.

• @Shalini: You accepted the answer, so why don't you upvote it? Your quesiton might have been featured on the network-wide "hot network questions" since Jack answered it so quickly, but this only happens if the answer has enough upvotes. I'm surprised I'm the only one that upvoted this! – Nike Dattani Mar 25 at 15:07