[CP2K-user] [CP2K:16859] Re: Some question for SMEAR
flancli97 at gmail.com
flancli97 at gmail.com
Fri Apr 15 08:20:34 UTC 2022
I want to know the parameter ELECTRONIC_TEMPERATURE will influence what
about system?
How should I adjust the values relative to my system?
在2022年4月14日星期四 UTC+8 20:26:32<flancli97 at gmail.com> 写道:
> Hi cp2k all,
>
> I try to calculate series of alloy structure, but some in that can not
> converges. So I just try values about ELECTRONIC_TEMPERATURE. whether the
> results is still comparable?
>
> Best regards!
> Andy
>
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