PWscf
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himadri
I am calculating complex band structure of Ag along [001]direction.
for that "scf" file is working perfectly fine using pw.x command but in case of ag.cond.in through pwcond.x command its showing error that "Too big atomic spheres" input file of ag.cond.in is
&inputcond
outdir='/tmp/'
prefixl='Ag'
band_file ='bands.Ag'
ikind=0
energy0=0.0
denergy=-0.4d0
ewind=1
epsproj=1.d-3
delgep=5.d-10
cutplot = 2.0
/
1
0.0 0.0 1.0
60

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