#!/bin/bash

PWDIR='../../../..'
work=./WORK
. $PWDIR/examples/environment_variables
BIN_DIR=$PWDIR/bin

mkdir $work >& /dev/null
rm -f $work/*
mkdir PSEUDOPOTENTIALS >& /dev/null

ld1_command="$PARA_PREFIX $BIN_DIR/ld1.x $PARA_POSTFIX"

echo "ld1_command =" $ld1_command

for atom in *.in ; do
    $ld1_command < $atom > $work/$atom.out
done

mv *.UPF PSEUDOPOTENTIALS
\rm -f ld1*