# file generated by /usr/lib/cgi-bin/material_modeling.pl on Wed Aug 27 14:54:49 2025
#log="/var/www/html/data/material-modeling/1000053.cif-QuantumEspresso-herculesd-20250827-145449/material-modeling-log.txt"
atoms="/var/www/html/data/material-modeling/1000053.cif-QuantumEspresso-herculesd-20250827-145449/1000053.cif"
calculator="QuantumEspresso"
directory="/var/www/html/data/material-modeling/1000053.cif-QuantumEspresso-herculesd-20250827-145449/"
smearing="semiconductor"
compute="electrons_3d_phonons_3d"
user_id="herculesd"
user_ip=" [195.221.10.47]"
mpi="32"
