On 07/04/2020 17:57, Fariba Islam wrote:
I am using the pp Si.pbe-n-kjpaw_psl.1.0.0.UPF whose pp type is PAW
still I am receiving the previous error-
task # 0
from grid_build : error # 1
USPP are not implemented
PAW is as complex as USPP, so the error message above comprises both cases.
And another question is where can I get norm-conserving pp?
We have tested the Schlipf Gygi, that you can find here:
http://www.quantum-simulation.org/potentials/sg15_oncv/
The tests are in
https://www.materialscloud.org/discover/sssp/plot/efficiency/Si
nicola
On Tue, Apr 7, 2020 at 9:45 PM Fariba Islam <ezq...@gmail.com
<mailto:ezq...@gmail.com>> wrote:
I am sorry I misunderstood the error, I thought it said I need to
use USPP. But it said otherwise.
Thanks for your help.
On Tue, Apr 7, 2020 at 9:38 PM Nicola Marzari
<nicola.marz...@epfl.ch <mailto:nicola.marz...@epfl.ch>> wrote:
On 07/04/2020 17:32, Fariba Islam wrote:
> I have used USPP Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF
>
<https://www.quantum-espresso.org/upf_files/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF>
to
> run scf and nscf for silicon. But when I run the epsilon.x
the program
> crashes with the following error-
> task # 0
> from grid_build : error # 1
> USPP are not implemented
What is the problem, in your opinion?
nicola
----------------------------------------------------------------------
Prof Nicola Marzari, Chair of Theory and Simulation of
Materials, EPFL
Director, National Centre for Competence in Research NCCR
MARVEL, EPFL
http://theossrv1.epfl.ch/Main/Contact
http://nccr-marvel.ch/en/project
--
----------------------------------------------------------------------
Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project
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