[Wien] initso_lapw run time error

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[Wien] problem

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[Wien] problem

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[Wien] initso_lapw run time error

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[Wien] Running Wien2k on a MacPro OS 10.7.3 - setrlimit(): Invalid argument

Hi, Thanks for the response. I found http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-July/015120.html in the mailing list archive which describes patching the W2kutils.c W2kutils.h files in lapw0,1,2, though this is not mac specific. I did this and recompiled but still get the

[Wien] Running Wien2k on a MacPro OS 10.7.3 - setrlimit(): Invalid argument

I am not exactly sure. Michael Sternberg (who I am cc'ing) looked into this as he has a Mac and I don't. The issue relates to differences in the calls to setrlimit and perhaps getrlimit which seem to be different for a Mac. (Alas, system calls are often not as standard as Fortran.) There were some

[Wien] xcrysden to plot Fermi surface

Dear Sir/Madam, My question may not be directly related to WIEN2k. When plotting Fermi surface using XCrysden, it says that case.in1 should be changed into unit 5. But if I change case.in1 to unit 5, I would always get an error message saying that kpoints in case.in1 is inconsistent with the