[Wien] Error with case.vectorhfup_old
pascal boulet
pascal.boulet at univ-amu.fr
Tue Apr 1 19:18:49 CEST 2014
Dear all,
I am facing a problem while performing an EXX calculation. I have
followed the manual section 4.5.8 so I think the input files are OK. The
problem arises when starting the HF calculation. The case.vectorhfup_old
file is not found.
In my configuration, the calculations are performed in the
"/scratch/WIEN2K/case" directory but the vector files are stored in the
"/scratch/WIEN2k" one.
I have noticed that in runsp_lapw, in the various "sections" dealing
with the -hf option, the variable $scratch is not invoked before the
various case.vectorXXXX files. So I was wondering if the problem was
there or not.
Thank you for your help.
Best regards
Pascal
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