[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It could be you are using a buggy (outdated WIEN2k) version.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] lapw1 -c error

2011-11-10 Thread viel...@onid.orst.edu
Hello, I maintain our Wien2k computer and a student sent me this error. I am unable to pinpoint this error. Thanks for your help, Jason Vielma Quoting Robert Kykyneshi kykynesr at science.oregonstate.edu:

[Wien] lapw1 -c error

2011-11-10 Thread Laurence Marks
This looks very strange. The scripts should pickup the complex option (-c) if a non-zero case.in1c exists in the directory and then continue with it. I would recreate the case and check that there is not something strange in the input, maybe change to -xf in lapw1cpara. If all else fails attach