# file generated by /usr/lib/cgi-bin/material_modeling.pl on Wed Mar 11 13:24:56 2026
#log="/var/www/html/data/material-modeling/WS2.cif-QuantumEspresso-paveldudin-20260311-132456/material-modeling-log.txt"
atoms="/var/www/html/data/material-modeling/WS2.cif-QuantumEspresso-paveldudin-20260311-132456/WS2.cif"
calculator="QuantumEspresso"
directory="/var/www/html/data/material-modeling/WS2.cif-QuantumEspresso-paveldudin-20260311-132456/"
smearing="semiconductor"
compute="electrons"
user_id="paveldudin"
user_ip=" [192.168.7.73]"
mpi="32"
