[Pw_forum] (no subject)

Ari P Seitsonen Ari.P.Seitsonen at iki.fi
Thu Aug 6 18:09:40 CEST 2015


PS Sorry, I forgot: Based on your input "outdir='/root/Desktop/out/ceo2'" 
I am afraid that you are running Quantum ESPRESSO with the account 
'root'... This should never be done! One should only use the maintenance 
account for maintenance, not for running codes.

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari Paavo Seitsonen / Ari.P.Seitsonen at 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 <mahyazare68 at 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
>


More information about the users mailing list