Velocity DCD file broken
NORMAN GEIST
norman.... at gmail.com
Thu Jan 21 13:41:07 UTC 2016
Dear experts,
I noticed that CP2k (Version 2.6.0) will output broken DCD VELOCITY files.
I used the following to enable
velocity output in DCD format:
&VELOCITIES
LOG_PRINT_KEY T
FORMAT DCD
&EACH
MD 10
&END EACH
ADD_LAST NUMERIC
&END VELOCITIES
Cheers
Norman Geist
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