[Wien] core dumped

2011-11-11 Thread susanta mohanta
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[Wien] lapw1 -c error

2011-11-11 Thread Peter Blaha
It could be you are using a buggy (outdated WIEN2k) version. At some time we had a bug in x_lapw, which would create case.in1 from a case.in1c when inserting EF into that file. Make sure that only case.in1c exists, and that the lapw2 step does not create a case.in1. Am 10.11.2011 21:49, schrieb

[Wien] core dumped

2011-11-11 Thread Maxim Rakitin
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[Wien] core dumped

2011-11-11 Thread susanta mohanta
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[Wien] core dumped

2011-11-11 Thread susanta mohanta
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[Wien] LOPW error

2011-11-11 Thread ali ghafari
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[Wien] LOPW error

2011-11-11 Thread Peter Blaha
Check the mailing list. I'm pretty sure this was discussed before, and even exactly for the In2O3 case. Am 11.11.2011 16:29, schrieb ali ghafari: Dear Prof. Blaha I did successful calculation for In2O3 with 400 K-point but when I changed only K-point to 3 while others parameter were

[Wien] x spaghetti problem for spin-orbit calculation on rhombohedral structure

2011-11-11 Thread iaki island
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