[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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