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
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