k-point in CP2K 3.0 for GGA functional

Xun Wang wangxu... at gmail.com
Thu Jul 14 17:31:40 UTC 2016


And the input.xyz as well ...

sorry for the inconvenience 
On Thursday, July 14, 2016 at 1:29:37 PM UTC-4, Xun Wang wrote:
>
> Hello Conrad,
>
> Thank you very much for your time! I am attaching my input here. 
> Thanks!
>
> Xun
>
> On Thursday, July 14, 2016 at 1:01:43 PM UTC-4, Conrad wrote:
>>
>> Dear Xun,
>>
>> You should include the input that failed with your question.
>>
>> Best wishes,
>> Conrad
>>
>>
>>
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