[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

You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/d3f014a7-2402-43b8-b4e9-778a6a0bef25n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220415/2c8efbfa/attachment.htm>

More information about the CP2K-user mailing list