[Wien] OPTIC error
prasenjit1988 at gmail.com
Mon Apr 15 15:42:00 CEST 2013
Dear Prof Blaha,
Thank you very much for your reply and debugging the
problem in this case. As you rightly suggested, I made the changes in the
files sph-UPcor.frc and mmatcv.f. And compiled the whole package with an
extra "-C" tag. It showed there were a problem in creating the "opticc"
file. Finally I downloaded the package and installed the whole package
again. And this time it did not give any error while compiling. I ran "x
optic -c -so -up" without any error with a XMCD option, and case.symm1up
and case.symm2up files were generated successfully.
So, I thank you for your kind help and also wanted
to ask, how is it possible to understand at which line of the source code
there is a problem while running the "x optic" or similar commands.
With kind regards,
Electronic Structures of Materials
+31 (0) 24 36 52805
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