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*
CRASH
Description: Binary data
bluep33.scf.out
Description: chemical/gulp
bluep33.scf.in
Description: Binary data
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