# file generated by /usr/lib/cgi-bin/material_modeling.pl on Thu Aug 31 14:56:47 2023
#log="/var/www/html/data/material_modeling/CrSBr.cif-QuantumEspresso-victorp-20230831-145647/material_modeling-log.txt"
atoms="/var/www/html/data/material_modeling/CrSBr.cif-QuantumEspresso-victorp-20230831-145647/CrSBr.cif"
calculator="QuantumEspresso"
directory="/var/www/html/data/material_modeling/CrSBr.cif-QuantumEspresso-victorp-20230831-145647/"
smearing="semiconductor"
compute="electrons_3d"
user_id="victorp"
user_ip=" [192.168.7.213]"
mpi="8"
