[Pw_forum] Doubt in gamma point calculations

Padmaja Patnaik padmaja_patnaik at yahoo.co.uk
Fri Jul 4 07:42:58 CEST 2008


Dear all



I am doing calculations for semiconductors and plotting the density of
states(DOS) . The DOS plot obtained with K-points in scf calculation as
'Gamma'  found to have shifted towards the lower energy values in
comparision to the DOS curve  with K-points as given in the
example08 (fixed K-points). This is why i cant use K-point= Gamma for
supercell calculations.



Please advise.



Regards

Padmaja




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