If I remember correctly, please check you case.ksym file. It is empty. I have the same problem before.
My solution is to copy case.struct to case.ksym and then run: x kgen -so However, I am not sure which case.struct file should be used, the origin one? or the structure with SOC? or both are OK? On Thu, Apr 12, 2012 at 11:40 PM, Hena Das <hd249 at cornell.edu> wrote: > Dear All, > > I am using Wien2k version 11.1 compiled in a 64 bit linux machine with > ifort compiler (version 11.1) and mkl math libraries. I want to do a scf > calculation using SO interaction. I have done the scf calculation without > SO interaction first and it runs perfectly. Then I save the results of the > scf-cycle with the command save_lapw and run initso_lapw to create the > necessary files for scf calculation with SO interaction. The case I am > working on require spin polarized calculation, therefore I allow symmetso > to create new symmetry if required and it creates a new .struct file. The > program runs perfectly upto this point, but when I accept the new symmetry > and try to generate new k-point mesh the program stops and give me the > error "kgen XML parse exception: <unknown>:1:1: syntax error". I also tried > with the cos2.struct file, which is available in the Wien2k example > directory, but ended up with the same error. > > Please help me to solve this problem. > > Thank you in advance. > > Regards, > Hena Das > > Status: Research Associate > Institution: Cornell University > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120413/6cc78221/attachment.htm>