[CP2K-user] How to mix DFTB and normal XC calculation?

linfeng gan ganli... at gmail.com
Fri May 17 10:40:47 UTC 2019


Thank your very much Vladimir. I will try the newest distribution.

Best regards,
Linfeng



在 2019年5月16日星期四 UTC+8下午8:15:01,Vladimir Rybkin写道:
>
> Dear Lifeng,
>
> with my (trunk) version of CP2K it runs smoothly through.  Try the newest 
> distribution of the code.
>
> Yours,
>
> Vladimir
>
> четверг, 16 мая 2019 г., 14:04:54 UTC+2 пользователь linfeng gan написал:
>>
>>
>> Thanks Vladimir,
>> enclosing is my full DFTB+PBE embed input file.
>>
>> Thanks for your help.
>>
>> Yours,
>> Linfeng
>>
>> 在 2019年5月16日星期四 UTC+8下午5:14:05,Vladimir Rybkin写道:
>>>
>>> Dear Lifeng,
>>>
>>> the code is experimental so it may happen. Could you please attach your 
>>> full input?
>>>
>>> Yours,
>>>
>>> Vladimir
>>>
>>>
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