[Wien] lapwdm error for non-magnetic calculation with SOC

[Md. Fhokrul Islam]

Hi Prof. Blaha and Wien2k users,

I am trying to run lapwdm to calculate the surface spin components of Bi2Se3 doped with non-magnetic impurity (x lapwdm -p -c -so). But the job crashes with the error:

forrtl: severe (24): end-of-file during read, unit 19, file /lunarc/nobackup/users/eishfh/WIEN2k/Bi2Se3/NonMagnetic/BiSeSb/BiSeSb.vspdn

Since it is a non-magnetic calculation, it has only BiSeSb.vsp file and BiSeSb.vspdn and BiSeSb.vspup files are empty. So I am not sure why it is trying to read from .vspdn  file.

If I copy .vsp file to .vspdn and run again, it gives a different error:

forrtl: severe (24): end-of-file during read, unit 10, file /lunarc/nobackup/users/eishfh/WIEN2k/Bi2Se3/NonMagnetic/BiSeSb/./BiSeSb.vectorso_1dn_1

Again, these .vectorso_1dn_1 files are empty but if I copy .vectorso_1 to .vectorso_1dn_1 .. etc then it works and creates .scfdm files. But I am not sure if this is the right way to do it.

I am wondering if there is a way to fix it without manually copying files to dn files.


Thanks,
Fhokrul
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