I have some problems with WF1.spn files.
I run fleur_MPI -eig hdf >stdout to get WF1.spn. I got WF1.spn file. But for next step, I run postw90.x WF1 with this WF1.spn file but the errors turn out from wannier90.
Error: Problem reading input file WF1.spn files.
The issue only happens with WF1.spn files, for other cases, it works quite well. I check WF1.spn format in Fleur and in VASP file and found that the WF1.spn (fleur) is written in ASCII Format, it is different to VASP file. Does it cause this issue? I am using wannier90-3.1.0 library to compile.
<output dos="F" band="F" slice="F" wannier="T" eig66="T" > <wannier> <bandSelection minSpinUp="9" maxSpinUp="152"/> <jobList> mmn0_to_spn </jobList> </wannier>
I already had WF1.socmmn0, updown.mmn0, WF2.socmmn0 by running
<wannier> <bandSelection minSpinUp="9" maxSpinUp="152"/> <jobList> updown mmn0 </jobList> </wannier>
Here is my output of WF1.spn making steps. out
Thanks for any help.