[CP2K-user] [CP2K:17080] Re: default Force Units

[Victor Volkov]

Dear Matt.
Thank you.
Best regards,
Victor

On Sat, Jun 4, 2022 at 1:10 PM Matt Watkins <mattwatkinsuk at gmail.com> wrote:

> Yes, Ha/Bohr.
> Atomic units are default _almost_ everywhere. Big exceptions that are
> likely to appear are coordinates in Angstroms and grid cutoff in Rydberg.
> Matt
> On Wednesday, 1 June 2022 at 21:01:31 UTC+1 volk... at gmail.com wrote:
>
>> Dear members and developers:
>> I wish to ask about the default units for FORCE when asked for using
>>   &FORCES ON
>>     &EACH
>>       MD 1
>>     &END EACH
>>    &END FORCES
>>
>> Should I expect Hartree/bohr as in wiki
>> https://en.wikipedia.org/wiki/Hartree_atomic_units
>>
>> Below I provide the available online description.
>>
>> Thank you
>> Best wishes,
>> Victor
>> *************
>> Force Possible units of measurement for forces.
>> The [force] entry acts like a dummy flag (assumes the unit of measurement
>> of force is in internal units), useful for dimensional analysis.
>> *N*
>> *Newton*
>> *mN*
>> *mNewton*
>> *au_f* *force*
>>
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