unit
simin pahlavi
simin.... at gmail.com
Mon Jul 23 12:51:56 UTC 2018
Dear Cp2k users,
I have a question about units.
In exercises ( Fist ) parts of cp2k webpage , the units of for example
force constants (in separate file for potentials) is kcal.mol/An ^2 without
any changing in unit in inp file, while according to the cp2k manual is
supposed to be hartee/boh^2. And same for the other constants and parametrs.
Does anybody can describe why without, changing the units, cp2k
automatically find out that for instance force constants in charm
potentials is written in kcal/mol An^2 unit?
Best regards
Simin
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180723/161ccae7/attachment.htm>
More information about the CP2K-user
mailing list