[CP2K-user] [CP2K:17909] Re: Default unit for stress tensor

Howard Yanxon yanxonh at lbl.gov
Thu Oct 20 16:57:44 UTC 2022


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 <mattwatkinsuk 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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