X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=vasp_tools%2Fe_f_tersoff;fp=vasp_tools%2Fe_f_tersoff;h=ef75640c658489f21b024ec52c8c36b9929126bd;hp=0000000000000000000000000000000000000000;hb=98df942a2412e6ace72ae221f2e967f24bba7108;hpb=a29f0d8f1217a53ac4e1b90e65d24394f7c8967f

diff --git a/vasp_tools/e_f_tersoff b/vasp_tools/e_f_tersoff
new file mode 100755
index 0000000..ef75640
--- /dev/null
+++ b/vasp_tools/e_f_tersoff
@@ -0,0 +1,22 @@
+#!/bin/bash
+
+ready=`grep General\ timing $1/OUTCAR | awk '{ print $1 }'`
+
+default="plain_si_2333_nosym_sp plain_sic_2333_nosym_sp"
+
+test=`echo $1 | awk -F_ '{ print $3 }'`
+
+if [ -d plain_si_${test}_nosym_sp ]; then
+	[ -d plain_sic_${test}_nosym_sp ] && \
+		default="plain_si_${test}_nosym_sp plain_sic_${test}_nosym_sp"
+fi
+
+if [ "$ready" = "General" ]; then
+	echo "$i seems to be finisched ..."
+	echo "reference: $default"
+#./e_form_tersoff plain_si_2333_nosym_sp plain_sic_2333_nosym_sp $1
+./e_form_tersoff $default $1
+else
+	echo "$i not yet finished ..."
+fi
+