[Wien] Spin-orbital calculation always stop at LAPW2

Peter Blaha pblaha at theochem.tuwien.ac.at
Thu Dec 4 10:16:05 CET 2008


No, that won't help.  runsp does not know about a -c switch.

On the other hand, it should not happen, that you have in ONE directory a file
case.in1 AND case.in1c
This might lead to problems...

> Seemingly you are running with the case having no inversion symmetry (you have case.in1c). So you may need to run withrunsp -so -c
> regards -- H. Wu


                                       P.Blaha
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