Hello All, I want to do relax calculations for FeS. I am trying from the last three days but in the output, I am not getting anything. Also, I tried by putting K_points(gamma) and in the cell sections 'do_cellfree=xyz', after completing 100 iterations in this case output stops after completing 100 iterations. I am attaching my input and output files. Any suggestions would be greatly appreciable.
------------------------------------------------------------------------------------------------- Poonam Sharma Research Scholar Department of Physics Indian Institute of Technology Bombay Mumbai - 400076 India.
relax.in
Description: Binary data
relax.out
Description: Binary data
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