[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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