# file generated by /usr/lib/cgi-bin/material_modeling.pl on Fri Sep 29 10:05:41 2023
#log="/var/www/html/data/material_modeling/Mo2S4.cif-QuantumEspresso-farhie-20230929-100541/material_modeling-log.txt"
atoms="/var/www/html/data/material_modeling/Mo2S4.cif-QuantumEspresso-farhie-20230929-100541/Mo2S4.cif"
calculator="QuantumEspresso"
directory="/var/www/html/data/material_modeling/Mo2S4.cif-QuantumEspresso-farhie-20230929-100541/"
smearing="semiconductor"
compute="electrons_3d"
user_id="farhie"
user_ip=" [172.28.3.246]"
mpi="8"
