[Pw_forum] Format data/koint and band energy in nscf calculation/ koint and band energy in bands.dat
nazari at iasbs.ac.ir
nazari at iasbs.ac.ir
Thu Mar 12 12:17:28 CET 2009
Dear All,
I have a question about plotting band structure.
The band structure for 48 atoms tio2 surface has many unusall jumps.For
resolving this problem at first i have checked all the parameters. The
parameters were similar to ones which is reported in articles and also in
forum. But when I produce the dat file from ncsf.out file by direct
transfer of data from nscf.out to dat file without running bands.x the
band structure has normal appearance. Would you please let me know what
is the corect format for band.dat file?
Regards
Fariba Nazari
IASBS
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