[Pw_forum] building surfaces using gdis

[Jiban Kangsabanik]

Hi,
You can use Virtual NanoLab for creating surfaces. They give a free
perpetual license for academic researchers. You can find it here-
http://quantumwise.com/free-trial/free-vnl
Hope it helps.

Jiban Kangsabanik
Research Scholar
IIT Bombay, India


On Sat, May 20, 2017 at 5:42 PM, William DeBenedetti <wjd74 at cornell.edu>
wrote:

> Hello,
>
> I strongly recommend using the atomic simulation environment (ASE) to
> generate surface supercells. Note that Espresso is not an approved
> calculator for ASE but you can still generate surfaces with ease. I
> typically generate the supercell, then extract the cartesian coordinates
> and cell parameters for Espresso. It is written in Python.
>
> You can find it here: https://wiki.fysik.dtu.dk/ase/
>
> Will DeBenedetti
> Doctoral Candidate
> Cornell University
>
> On Sat, May 20, 2017 at 3:04 AM, Pascal Boulet <pascal.boulet at univ-amu.fr>
> wrote:
>
>> Hello,
>>
>> You can try with VESTA:
>> http://jp-minerals.org/vesta/en/
>>
>> HTH
>> Pascal
>>
>> -
>> Pascal Boulet *- MCF HDR, Resp. L2 MPCI - DEPARTEMENT CHIMIE*
>> Aix-Marseille Université - ST JEROME - Avenue Escadrille Normandie
>> Niemen - 13013 Marseille
>> Tél: +33(0)4 13 55 18 10 <+33%204%2013%2055%2018%2010> - Fax : +33(0)4
>> 13 55 18 50 <+33%204%2013%2055%2018%2050>
>> Site : http://madirel.univ-amu.fr/pages_web_BOULET_PASCAL/annuaire -
>> Email : pascal.boulet at univ-amu.fr
>>
>>
>>
>>
>>
>>
>> Le 19 mai 2017 à 10:11, Winfred Mulwa <mulwawinfred at gmail.com> a écrit :
>>
>> Dear all
>> I am trying to build surfaces using gdis and it shows i am not getting
>> there. Kindly, is there any one with an idea on how to go about it??
>> Kind regards
>> Dr. Mulwa Winfred.
>> Computational Material Science,
>> University of Eldoret,
>> Kenya.
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