datasets/Si2/run.sh

#!/bin/bash

set -e

NP=8
NK=4

PWX=pw.x
PROJX=projwfc.x

F='scf'
mpirun -n $NP $PWX -nk $NK -in $F.in > $F.out

F='bands'
mpirun -n $NP $PWX -nk $NK -in $F.in > $F.out
cp out/si2.xml si2_bands.xml

F='proj'
mpirun -n $NP $PROJX -nk $NK -in $F.in > $F.out