Sir,
Please tell me a way i can rectify the problem. Because I have to give van
der waals correction so where I can make changes to rectify this "too many
r-vectors" error.

On Thu, Sep 29, 2016 at 1:09 AM, Paolo Giannozzi <p.gianno...@gmail.com>
wrote:

> The problem is likely due to the DFT+D2 Grimme correction. The computer
> time is large because you are using a large supercell and a high cutoff.
>
> On Tue, Sep 27, 2016 at 9:40 AM, Himani Mishra <him...@iiita.ac.in> wrote:
>
>> I have attached my input file below.
>> I have a computational strength of 40 core processor with 64 GB RAM in
>> master and 128 GB RAM in slave. Still the simulation took around a week
>> and atlast produced error. Suggest something to increase the relaxation
>> speed too.
>>
>> Thanks,
>>
>> Regards,
>> Himani Mishra
>> RSE2016002
>>
>> On Tue, Sep 27, 2016 at 1:08 PM, Himani Mishra <him...@iiita.ac.in>
>> wrote:
>>
>>> I have attached my input and output file below.
>>> I have a computational strength of 40 core processor with 64 GB RAM in
>>> master and 128 GB RAM in slave. Still the simulation took around a week
>>> and atlast produced error. Suggest something to increase the relaxation
>>> speed too.
>>>
>>> Thanks,
>>>
>>> Regards,
>>> Himani Mishra
>>> RSE2016002
>>>
>>> On Tue, Sep 27, 2016 at 12:10 PM, Paolo Giannozzi <p.gianno...@gmail.com
>>> > wrote:
>>>
>>>> You should provide some information (notably, input data and number of
>>>> processors) on the exact conditions under which this happens
>>>>
>>>> Paolo
>>>>
>>>> On Tue, Sep 27, 2016 at 6:34 AM, Himani Mishra <him...@iiita.ac.in>
>>>> wrote:
>>>>
>>>>> Dear Sir,
>>>>> I was trying to perform a vc-relaxation simulation but I am getting
>>>>> this error. Can you please tell me why this error is coming and how to
>>>>> rectify it.
>>>>>
>>>>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>>>> %%%%%%%%%%%%%%%%%%
>>>>>      Error in routine rgen (4260):
>>>>>      too many r-vectors
>>>>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>>>> %%%%%%%%%%%%%%%%%%%
>>>>>
>>>>>      stopping ...
>>>>>
>>>>> Thanks in advance,
>>>>> Himani Mishra
>>>>> RSE2016002
>>>>>
>>>>> _______________________________________________
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>>>>
>>>>
>>>>
>>>> --
>>>> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
>>>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>>>> Phone +39-0432-558216, fax +39-0432-558222
>>>>
>>>>
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>>>
>>>
>>
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>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
> _______________________________________________
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> Pw_forum@pwscf.org
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