[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?

 Fariba Nazari

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