# file generated by /usr/lib/cgi-bin/material-modelling.pl on Fri Aug  7 10:56:58 2026
# log="/var/lib/material-modelling/data/La2CuO4.cif-QuantumEspresso-farhie-20260807-105658/material-modelling-log.txt"
atoms="/var/lib/material-modelling/data/La2CuO4.cif-QuantumEspresso-farhie-20260807-105658/La2CuO4.cif"
calculator="QuantumEspresso"
directory="/var/lib/material-modelling/data/La2CuO4.cif-QuantumEspresso-farhie-20260807-105658/"
smearing="semiconductor"
compute="electrons_3d_phonons_3d"
to_all="True"
user_id="farhie"
user_ip=" [172.28.3.246]"
mpi="all"
