[Pw_forum] problem with fatbands

[Ludwig, Stephan]

Hello,

I try to plot fatbands. Therefore I try to use the steps proposed in espresso-5.1.1/PP/examples/example05 with my material CaFe2As2.

After doing projwfc.x I receive a file similar to the file feo-af-proj.dat.up. My file is called CaFe2As2_50K.proj.dat (no spin state determined). Like in the example I produce a link

ln -s CaFe2As2_50K.proj.dat CaFe2As2_50K.bands.dat.proj



When I start now plotbands.x I am asked which wavefunctions I want to use: 

"List of atomic wavefunctions: 21 22 23 24 25  38 39 40 41 42"    (4d-Fe-wavefunctions)



But proceiding I do receive just a single output file not several for the different atomic wavefunctions like they have in example05 (I mean the files feo_af.bands.1.2 etc). What I have on the other hand are files from the projwfc.x-run (for instance CaFe2As2_50K.pdos_atm#1(Ca)_wfc#2(p)) these files I can't find in the example05.



Please can anybody tell me what I do wrong.

In the attachment you can find some inputfiles



Thanks and Regards



Stephan Ludwig

1. physikalisches Institut

Universität Stuttgart

Germany

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