#!/bin/bash -l
#$ -N  For-JOB-QE   
#$ -l  h_rt=00:30:00
#$ -pe mpi 16       
#$ -l mem=1G
#$ -cwd

module unload compilers mpi gcc-libs
module load gcc-libs/10.2.0
module load compilers/gnu/10.2.0
module load mpi/openmpi/4.0.5/gnu-10.2.0
module load fftw/3.3.9/gnu-10.2.0
module load quantum-espresso/7.3.1-cpu/gnu-10.2.0

# Set the path here to where ever you keep your pseudopotentials.

export ESPRESSO_PSEUDO=/home/ucecuof/Scratch/pseudo/Forpractice

gerun pw.x -in N-graphene.in > N-graphene.out