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

Vladimir Rybkin rybk... at gmail.com
Thu May 16 12:15:00 UTC 2019


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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