[Pw_forum] sumpdos

fateme hooshmand fhooshmand at mail.kntu.ac.ir
Fri Aug 15 15:48:24 CEST 2014


Dear QE user
In projected density of states separated for each k-points and over each k index the sumpdos.x get error
"  wrong fmf in the first line of..."
in sumpdos.f90
"IF ( trim(str1) == 'ldos(E)' ) THEN
          nspin = 1
      ELSEIF ( trim(str1) == 'ldosup(E)' .and.  trim(str2) == 'ldosdw(E)' ) THEN
          nspin = 2
      ELSE
          CALL errore("sumpdos", "wrong fmf in the first line of "//trim(file(1)), 1)"
 the presence of "ik" column in pdos files is the cause of this error or not , how we can plot each pdos.files and sumpdox.x can sum over each states or not?
thank you in advance 



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