[Pw_forum] Error computing Cholesky

[swapnil chandratre]

Hi Shruba,

I think what you are suggesting is very close to my problem, I started using
espresso just a week back so I am not very familiar with it. I am sending
you the input file, Its a porous graphene ribbon, periodic in y and z
direction with some atoms deleted. I think the error may be somewhere in
defining the system, could you help ?

On Tue, Apr 26, 2011 at 7:15 PM, Shruba Gangopadhyay <shruba at gmail.com>wrote:

> Dear Swapnil,
>                     Its always better to send the input file here. Because
> without your input its very difficult for anybody to understand whats going
> wrong. From my experience I can suggest you one thing to check if your
> supercell length along anyone of the axis having much high value (like
> length of x axis/length along z ~20 or more). I suspect it because you have
> a nanoribbon.  In that case you might reduce the ratio and see if you still
> getting the error.
>                    Cheers
>                    Shruba
>
> On Tue, Apr 26, 2011 at 5:28 PM, swapnil chandratre <
> swapnil.chandratre at gmail.com> wrote:
>
>> I couldnt find anything pertaining to error 426.
>>
>>
>> On Mon, Apr 25, 2011 at 2:33 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:
>>
>>>
>>> On Apr 25, 2011, at 2:14 , swapnil chandratre wrote:
>>>
>>> > I get the following error for Graphene Ribbon with porosity, can
>>> > anyone help.
>>> >
>>> >  from  cdiaghg  : error #       426
>>> >       problems computing cholesky
>>>
>>> what about searching the mailing list for "cholesky" ?
>>>
>>> http://www.quantum-espresso.org/user_guide/
>>> node52.html#SECTION000121070000000000000
>>> >
>>>
>>>
>>> P.
>>> ---
>>> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
>>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>>> Phone +39-0432-558216, fax +39-0432-558222
>>>
>>>
>>>
>>>
>>> _______________________________________________
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
>>> http://www.democritos.it/mailman/listinfo/pw_forum
>>>
>>
>>
>>
>>  --
>> Regards,
>> Swapnil Chandratre
>> Graduate Student
>> Dept. of Mechanical Engineering,
>> University of Houston,
>> Houston, TX
>> (M)-713-294-9546
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://www.democritos.it/mailman/listinfo/pw_forum
>>
>>
>
>
> --
> Shruba Gangopadhyay
> PhD candidate
> Department of Chemistry, NanoScience Technology Center
> 12424 Research Parkway, Suite 400
> University of Central Florida
> Orlando, FL-32826
> 'friendship doubles joys and reduces sorrows by half' (Francis Bacon).
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>


-- 
Regards,
Swapnil Chandratre
Graduate Student
Dept. of Mechanical Engineering,
University of Houston,
Houston, TX
(M)-713-294-9546
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110427/ad31a918/attachment-0001.htm 
-------------- next part --------------
A non-text attachment was scrubbed...
Name: graphene.in
Type: application/octet-stream
Size: 3964 bytes
Desc: not available
Url : http://www.democritos.it/pipermail/pw_forum/attachments/20110427/ad31a918/attachment-0001.obj