Dear Mahya Zare,
1) Please read the instructions on how to post to this forum, in
particular the part on affiliation; next, an approriate title;
furthermore, please do not repost the same email several times a day:
Patience :)
2) Please learn how to extract single layers from the bulk structure;
personally I would say that it should not be the duty of the other people
to build the system for you, in particular in this case that looks quite
trivial. Is the system CeO2? I would start by constructing the bulk cell,
looking at the coordinates of the atoms in a single layer and then
extracting those. I can also warmly recommend calculating them with pencil
and paper, later you will understand the structure, the symmetries etc
much better.
3) Good Luck! :)
Greetings from Sunny Montrouge,
apsi
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
Ari Paavo Seitsonen / ari.p.seitso...@iki.fi / http://www.iki.fi/~apsi/
Ecole Normale Supérieure (ENS), Département de Chimie, Paris
Mobile (F) : +33 789 37 24 25 (CH) : +41 79 71 90 935
On Thu, 6 Aug 2015, Mahya Zare wrote:
On Thu, Aug 6, 2015 at 2:47 PM, Mahya Zare <mahyazar...@gmail.com> wrote:
Dear Users
Kindly help me how to make Ceo2 nano sheet. I used the lattice parameters a=
5.411A, C=15.0A, space group fm3m (225)
and atomic positions Ce 0 0 0, and O 1/4 1/4 1/4,O 3/4 3/4 3/4 which are not
looks ok. Please help me for makes pwscf
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