xdat2xyz.pl giving me error
Posted: Fri Jan 17, 2014 12:45 am
Hi there,
When I try to run the xdat2xyz.pl script, I get the output...
OPEN XDATCAR ...
VASP 5 format
and the corresponding movie file looks like:
FORCE: ... ENERGY: -359.86939816
FORCE: ... ENERGY: -359.75776610
FORCE: ... ENERGY: -359.63533047
FORCE: ... ENERGY: -359.51360796
FORCE: ... ENERGY: -359.40552385
FORCE: ... ENERGY: -359.32408937
FORCE: ... ENERGY: -359.27819020
FORCE: ... ENERGY: -359.27177889
etc.
Is the script somehow not working for 5.2? I downloaded the most reason version posted.
Kurt
When I try to run the xdat2xyz.pl script, I get the output...
OPEN XDATCAR ...
VASP 5 format
and the corresponding movie file looks like:
FORCE: ... ENERGY: -359.86939816
FORCE: ... ENERGY: -359.75776610
FORCE: ... ENERGY: -359.63533047
FORCE: ... ENERGY: -359.51360796
FORCE: ... ENERGY: -359.40552385
FORCE: ... ENERGY: -359.32408937
FORCE: ... ENERGY: -359.27819020
FORCE: ... ENERGY: -359.27177889
etc.
Is the script somehow not working for 5.2? I downloaded the most reason version posted.
Kurt