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
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
