[QE-users] bands.x problem of nspin=2 calculation

[박민규]

Dear all,

I found that if I run bands.x for nspin=2 case with -nk option, the first line of filband file for spin_component=2 disappears. It should look something like this
 &plot nbnd=  72, nks=   191 /
but this is missing. Then plotband.x cannot read filband file correctly.

Since the same thing does not occur for spin_component=1 case, I can just copy the first line of spin up filband file and paste it to the first line of spin down filband file to fix the problem. Or just run a bands.x job without specifying -nk option.

I think this is not a major bug, but I hope it will be fixed in future update.

Best,
============================================
Minkyu Park
Research Institute of Basic Sciences, University of Ulsan,
93, Daehak-ro, Nam-gu, Ulsan, 44610 Republic of Korea
minkyupark at ulsan.ac.kr<mailto:minkyupark at ulsan.ac.kr>
+82-52-259-1473
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