[CP2K-user] [CP2K:13193] Re: Error While Doing Band Structure Exercise 2017

Tom_f mikhail19... at gmail.com
Fri May 1 21:13:36 UTC 2020


Hi,
How do I select the Г, Х, and M points in this exercise? What should be 
guided by when choosing?

вторник, 28 апреля 2020 г., 21:21:05 UTC+3 пользователь Rakesh Pandey 
написал:
>
> Hi,
> It worked thanks you for your help.
>
>
> On Tue, Apr 28, 2020 at 12:51 PM Rakesh Pandey <pan... at gmail.com 
> <javascript:>> wrote:
>
>> Hi,
>> Thank you for your response i will try using latest version of cp2k and 
>> update you.
>>
>> On Tue, Apr 28, 2020 at 11:54 AM Fabian Ducry <fa... at gmail.com 
>> <javascript:>> wrote:
>>
>>> cp2k 5.1 is an old version that does not run this code. You have to 
>>> download a new version to be able to use k-points. Have a look here: 
>>> https://www.cp2k.org/download
>>>
>>> Best,
>>> Fabian
>>>
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>>> .
>>>
>>
>>
>> -- 
>> *Sincerely*
>> *Rakesh Pandey*
>> *KMC Robophysicists*
>> *KirroiMal College*
>> *University Of Delhi*
>>
>>
>>
>
> -- 
> *Sincerely*
> *Rakesh Pandey*
> *KMC Robophysicists*
> *KirroiMal College*
> *University Of Delhi*
>
>
>
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