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Hi Prof. Blaha and Wien2k users,</div>
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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: </div>
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forrtl: severe (24): end-of-file during read, unit 19, file /lunarc/nobackup/users/eishfh/WIEN2k/Bi2Se3/NonMagnetic/BiSeSb/BiSeSb.vspdn<br>
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Since it is a non-magnetic calculation, it has only BiSeSb.vsp file and <span style="font-family: Calibri, Helvetica, sans-serif; background-color: rgb(255, 255, 255); display: inline !important">BiSeSb.vspdn and <span style="font-family: Calibri, Helvetica, sans-serif; background-color: rgb(255, 255, 255); display: inline !important">BiSeSb.vspup
files are empty. So I am not sure why it is trying to read from .vspdn </span><span> file.</span></span></div>
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<span style="font-family: Calibri, Helvetica, sans-serif; background-color: rgb(255, 255, 255); display: inline !important"><span>If I copy .vsp file to .vspdn and run again, it gives a different error:</span></span></div>
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forrtl: severe (24): end-of-file during read, unit 10, file /lunarc/nobackup/users/eishfh/WIEN2k/Bi2Se3/NonMagnetic/BiSeSb/./BiSeSb.vectorso_1dn_1<br>
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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.</div>
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I am wondering if there is a way to fix it without manually copying files to dn files.</div>
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Thanks,</div>
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Fhokrul</div>
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