vasp_tools/e_f_tersoff

   1 #!/bin/bash
   2
   3 ready=`grep General\ timing $1/OUTCAR | awk '{ print $1 }'`
   4
   5 default="plain_si_2333_nosym_sp plain_sic_2333_nosym_sp"
   6
   7 test=`echo $1 | awk -F_ '{ print $3 }'`
   8
   9 if [ -d plain_si_${test}_nosym_sp ]; then
  10         [ -d plain_sic_${test}_nosym_sp ] && \
  11                 default="plain_si_${test}_nosym_sp plain_sic_${test}_nosym_sp"
  12 fi
  13
  14 if [ "$ready" = "General" ]; then
  15         echo "$i seems to be finisched ..."
  16         echo "reference: $default"
  17 #./e_form_tersoff plain_si_2333_nosym_sp plain_sic_2333_nosym_sp $1
  18 ./e_form_tersoff $default $1
  19 else
  20         echo "$i not yet finished ..."
  21 fi
  22