[Pw_forum] Error computing Cholesky

Shruba Gangopadhyay shruba at gmail.com
Wed Apr 27 02:15:34 CEST 2011


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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