# file generated by /usr/lib/cgi-bin/material_modeling.pl on Thu Oct  2 16:03:04 2025
#log="/var/www/html/data/material-modeling/ReO3.cif-QuantumEspresso-rueff-20251002-160304/material-modeling-log.txt"
atoms="/var/www/html/data/material-modeling/ReO3.cif-QuantumEspresso-rueff-20251002-160304/ReO3.cif"
calculator="QuantumEspresso"
directory="/var/www/html/data/material-modeling/ReO3.cif-QuantumEspresso-rueff-20251002-160304/"
smearing="semiconductor"
compute="electrons"
user_id="rueff"
user_ip=" [192.168.7.198]"
mpi="32"
