Dear UsersI am learning on how to do band structure calculations using QE and for this I have tried to calculate Si band structure. Using the nscf as given in example01 and using my own one (kpath from xcrysden), I end-up with a weired band structure. Can any one tell me where am I going wrong?
*msaqalian* *Bilknet Uni. Ankara*
Si.XcrysdenKPOINTS.nscf2.inp
Description: chemical/gamess-input
Si.scf.inp
Description: chemical/gamess-input
Si.example01.nscf.inp
Description: chemical/gamess-input
bands.inp
Description: chemical/gamess-input
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