#!/bin/bash
#SBATCH --nodes=1
#SBATCH --tasks-per-node=16
#SBATCH --mem-per-cpu=1800M
#SBATCH --time=24:00:00

module load quantumespresso/6.3 (or 6.1)

echo "PWscf started at: `date`"
srun pw.x < pw.in > pw.out
echo "PWscf finished at: `date`"