On 07/21/2016 09:51 AM, Wen Fong Goh wrote: > Hi Elias, I have tried out the current development version and it > reports no error, except it asked for case.inwfup and dn, which I assume > can be copied from case.inwf. So do you think the current wien2k package > should be updated with this wien2wannier version?
One more thing: I would advise that you check the results of this calculation carefully, just to keep an eye on the possibility that the problem was “fixed” only such the calculation does not crash, but that some subtler problem remains. Since it is difficult to check the .amn and .mmn files by eye especially in the presence of SOC, realistically that means checking the Wannier90 results (even more carefully than you do it anyway …). If you notice something strange, please keep us posted. Elias
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