[CP2K-user] [CP2K:17921] Re: Default unit for stress tensor

Matt Watkins mattwatkinsuk at gmail.com
Fri Oct 21 14:47:18 UTC 2022


Yes. Though I might have been a bit hasty - I am now not 100% sure what is 
dumped to standard out by default...

On Thursday, 20 October 2022 at 17:58:01 UTC+1 yan... at lbl.gov wrote:

> Thank you for responding.
>
> I'm not sure what's the atomic unit for pressure. Is it Ha/A^3?
>
> On Thu, Oct 20, 2022 at 9:25 AM Matt Watkins <mattwa... at gmail.com> wrote:
>
>> Atomic units
>>
>> On Thursday, 20 October 2022 at 15:31:20 UTC+1 yan... at lbl.gov wrote:
>>
>>> Hi,
>>>
>>> What's the default of stress tensor?
>>>
>>> Regards,
>>>
>>> Howard Yanxon
>>>
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