[QE-users] SCF job Crashed
Ubaid Mohd
onlymubaid at gmail.com
Thu Mar 14 05:58:33 CET 2019
Dear all QE users,
I am doing charge density difference calculation of two different layer
system. After doing the scf calculation of complete system, I need to do
same scf calculation for both the isolate monolayers separately keeping the
size of unit cell and atomic postion of the atom same. I have done
succesfully all calculations of monolayer I. When I am trying to do the scf
calculation of monolayer II (Blue Phosphorene_3x3), job crashes. Input and
output file is attached along with CRASH file. Please have a look these
files and help me.
Would you please give me some suggestion on what might be the issue?
Thanks and regards
*Mohammad Ubaid*
*PhD Research Scholar*
*Department of Physics*
*Jamia Millia Islamia University*
*New Delhi - 110025*
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