[Pw_forum] Error computing Cholesky

[swapnil chandratre]

Hi,

The structure is periodic in only z direction, I made a mistake saying its
periodic in 2 directions.

On Wed, Apr 27, 2011 at 12:28 PM, swapnil chandratre <
swapnil.chandratre at gmail.com> wrote:

> 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
>>>>
>>>>
>>>>
>>>>
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>>>
>>>
>>>
>>>  --
>>> Regards,
>>> Swapnil Chandratre
>>> Graduate Student
>>> Dept. of Mechanical Engineering,
>>> University of Houston,
>>> Houston, TX
>>> (M)-713-294-9546
>>>
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>>>
>>
>>
>> --
>> 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).
>>
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>>
>
>
> --
> Regards,
> Swapnil Chandratre
> Graduate Student
> Dept. of Mechanical Engineering,
> University of Houston,
> Houston, TX
> (M)-713-294-9546
>



-- 
Regards,
Swapnil Chandratre
Graduate Student
Dept. of Mechanical Engineering,
University of Houston,
Houston, TX
(M)-713-294-9546
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