so many thanks sir.



........... a.bahadur



On 12 February 2014 04:16, Kausala Mylvaganam <[email protected]>wrote:

>  Hi,
>
> You should be able to find this information in several files.
>
> 1.       In your output file look for 'outcell:     Cell vector
> modules    (Ang) :' - this information is printed for every step.
>
> 2.       In your .STRUCT_OUT file - the last step lattice vectors are
> printed at the top
>
> 3.       In your .STRUCT_NEXT_ITER file
>
>
>
> Kausala
>
>
>
> *From:* [email protected] [mailto:[email protected]] *On
> Behalf Of *Dr. Amar Bahadur
> *Sent:* Wednesday, 12 February 2014 6:11 AM
> *To:* [email protected]
> *Subject:* [SIESTA-L] reg: lattice constant and lattice vectors
> optimization
>
>
>
> Dear Users,
>                  As mentioned in Siesta Manual, for Lattice vectors and
> Lattice constant optimization the flag MD.VariableCell .True. is used. If
> I use this, where & in which file i will got optimized lattice vectors
> and lattice constant ?
>
>
>
>
>
>
>
> ........... a.bahadur
>

Responder a