Dear paolo, I thank you for your guidance. i want to know for DOS calculation for semi-conductors it is correct to perform the calculations of scf and nscf with different occupations or not? smearing for occupation in input scf file but tetrahedra occupation in input nscf file!
with regards khodadad, -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121205/2c5af866/attachment.html
