Dear all,
I'm learning on the PWSCF and meet with some problems when I calculate the
phonon spectrum except Gramm.
It is succesfull when calculating one qpoint but wrong many qpoints.Errors
appear as follows
In nscf file
task # 1
from phq_init:error# 1
wrong order of k points
or
from read_namelists:error # 225
reading namelist cell
The second question, when I calculate the phonon frequencies under
pressure,it appears error in nscf file like this :
from ptoinit :error
starting and expected charges differ
I'm thirsty for your reply.Thanks.
Best regards
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????????-3.5G???20M???
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