Dear all,
I was doing phonon dispersion calculations for lithium iron phosphate.
However, the calculation speed is really slow and it does not converge. Is
this because my system is too big? There are 28 atoms in the unit cell. My
input file is like this:
(1)
&CONTROL
calculation = "scf",
pseud
I use more k points.
Have you tried Raman calculation? Could you give me more advice?
Best,
Xiaolin
On Wed, Oct 28, 2015 at 10:21 PM, Xiaolin Xu wrote:
> Hi Jiqiang,
>
> Thank you very much for your help!
>
> I tried using only gamma point, but I got an error message when
=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
> 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
>
>
>
>
>> 在 2015-10-30 00:26:09，"
