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It could be you are using a buggy (outdated WIEN2k) version.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
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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
0.
0 0 1 0.
12
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