[Pw_forum] about DOS

Ezad Shojaee ezadshojaee at hotmail.com
Mon Jun 19 16:00:01 CEST 2006

hi dear Eyvaz
i have two questions:
is "occupations=tetrahedra" right for obtaining DOS for a semiconductor  
like TiO2?because when i do an nscf calculation without it ,my DOS is 
resonable according the band structure ,but when i use this occup-mode,DOS 
is completely different & i have not the gap too.
second, when i do an nscf calc. then use dos.x , the integrated DOS is not 
right in the gap,but when i use dos.x right after scf calculation ,i have 
the right integrated DOS but it's obvious that the i have no DOS after the 
gap.so what should i do to have the right DOS and integrated DOS ?

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