[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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