[QE-users] Problem to get epsilon.out

[Md. Jahid Hasan Sagor]

Hi,

I was trying to implement epsilon.x < epsilon.in > epsilon.out. But I got
the following error.


 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     task #         0
     from grid_build : error #         1
     USPP are not implemented
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


*My epsilon.in <http://epsilon.in> is:*

&INPUTPP
outdir      = './'
prefix      = '6H-SiC'
calculation = 'eps'
/
&ENERGY_GRID
smeartype   = 'gauss'
intersmear  = 0.15
intrasmear  = 0.0
wmin        = 0.0
wmax        = 10.0
nw          = 500
shift       = 0.0
/


Before running epsilon.in, I have implemented pw.x <scf.in > scf.out and
pw.x <nscf.in > nscf.out. These jobs is done successfully. I have used the
following PP files.
Si  28.086  Si.pbe-n-rrkjus_psl.1.0.0.UPF
C   12.010  C.pbe-n-kjpaw_psl.1.0.0.UPF


Would anyone please help me to find out the problem I made?

Best Regards
Md Jahid Hasan Sagor
Ph.D. Student
University of Maine
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230321/c047b90a/attachment.html>