# file generated by /usr/lib/cgi-bin/material_modeling.pl on Tue Sep  5 08:13:22 2023
#log="/var/www/html/data/material_modeling/LK99.cif-QuantumEspresso-farhie-20230905-081322/material_modeling-log.txt"
atoms="/var/www/html/data/material_modeling/LK99.cif-QuantumEspresso-farhie-20230905-081322/LK99.cif"
calculator="QuantumEspresso"
directory="/var/www/html/data/material_modeling/LK99.cif-QuantumEspresso-farhie-20230905-081322/"
smearing="semiconductor"
compute="electrons_3d_phonons_3d"
user_id="farhie"
user_ip=" [195.221.0.23]"
mpi="8"
