Potgenpbe5.3

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#!/bin/bash
# Create a GGA_PAW POTCAR file by concatenation of POTCAR files
# D.K. version 2010-07-08 TGN 

# Define local potpaw_GGA pseudopotential repository:
repo="repo="/home/oldhome/nlopez/PPS/pot_for_vasp5.3/PBE/potpaw_PBE" 

# Check if older version of POTCAR is present
if [ -f POTCAR ] ; then
 mv -f POTCAR old-POTCAR
 echo " ** Warning: old POTCAR file found and renamed to 'old-POTCAR'."
fi

# Main loop - concatenate the appropriate POTCARs (or archives)
for i in $*
do
 if test -f $repo/$i/POTCAR ; then
  cat $repo/$i/POTCAR >> POTCAR
 elif test -f $repo/$i/POTCAR.Z ; then
  zcat $repo/$i/POTCAR >> POTCAR
 elif test -f $repo/$i/POTCAR.gz ; then
  gunzip -c $repo/$i/POTCAR.gz >> POTCAR
 else
  echo " ** Warning: No suitable POTCAR for element '$i' found!! Skipped this element."
 fi
done

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