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Hi Wien2k users and developers,</div>
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I encountered couple of problems running w2w with SO for a tetragonal Cd3As2 (with some impurity). I am using Wien2k18.2.</div>
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1. This is a non-magnetic system so I did run spin unpolarized calculations (x lapw1, x lapwso) following a note by Elias Assmann but it crashes when starts </div>
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x w2w -so -up</div>
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x w2w -so -dn</div>
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It asks for spin-polarized files vspup and vspdn files etc. I have done several non-magnetic calculations with exactly the same approach but I didn't have any problem before. But for some reason, in this case <span style="font-family: Calibri, Helvetica, sans-serif; background-color: rgb(255, 255, 255); display: inline !important">the
upw2w.def and dnw2w.def files<span> are just like the way it creates def files for spin-polarized calculations. I tried copying .vsp file to vspup and vspdn, and also other files to corresponding spin-polarized extension but it didn't work.</span></span></div>
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2. Because of this problem in (1) I rerun the DFT calculations with spin-polarized setting but this time it crashed with the error:</div>
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<div>Segmentation fault (core dumped)<br>
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<span>Segmentation fault (core dumped)</span><br>
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<span>There are some segmentation fault in 'w2w -so' reported in mailing list in 2016 but I understood the issue is resolved for later version of w2w. So I am not sure why I am getting the error. There is no other error message.</span></div>
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Note that the bandstructure calculation works fine for this system, so the problem is something to do with w2w. I am wondering if anyone has encountered similar problem or has any suggestion on how to fix it.</div>
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<span>Thanks,</span></div>
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<span>Fhokrul</span></div>
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