[Wien] reply to volume optimization
Da Gao
dagao at exchange.uta.edu
Wed Mar 9 22:51:08 CET 2005
-50% to +50% : these are huge changes. Are you sure that your
calculation ran successfully for these exotic (?) lattice constants? Try
the case for which the problem occurred as a regular calculation,
without being part of a volume optimization process. Does it run? I bet
it will not.
Stefaan
Dear Stefaan,
Thanks for your help. I tried make change from -15% to 15%, it still won't work. the error message is:
cp: cannot stat `*_-15.0.clmsum': No such file or directory
DSTART ENDS
I think the reason for that error is because of
cp $i.clmsum *.clmsum
in the optimize.job file
I runed the TiC example and find such $i.clmsum are produced after optimize job are done. It is a little strange for me here. If we uncomment
cp $i.clmsum *.clmsum
where the program can find these $i.clmsum files ?
Thanks for your input.
Da
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