[Pw_forum] problem with DOS

Ezad Shojaee ezadshojaee at hotmail.com
Mon Jun 12 17:28:15 CEST 2006


hi
trying to obtain DOS , i am using ultrasoft pp's and ' ecutrho' is the same 
in scf & nscf calculation.
in the INPUT_PW file ,there is written that "occupations=tetrahedra" is for 
metals & DOS calclation, so it seems that i have to select this kind of 
occupation but trying this, some of eigenvalues in nscf calculation do not 
converge and while not using it, i have different band energies from those i 
had done for band structure before.so what should i do ?

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