[Wien] WIEN2PHON

Josh Abeling josh_abeling at yahoo.ca
Mon May 10 13:53:14 CEST 2010


When I run the cellconv part of WIEN2PHON I am returned a line stating that the structure I am using is not a primitive cell eventhough it is. Has anyone else encountered this "Nonprim cell" problem, and how do I fix it? 
I am working with the Cd2Re2O7 structure. I am using the redhat enterprise linux 5.3 operating system with AMD Opteron processor and PGI/PGCC compilers. 




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