From cc1ed863f4baad643c9fbfcbb48aeac818875b46 Mon Sep 17 00:00:00 2001
From: Francisco Javier Dominguez Gutierrez <javier.dominguez@ipp.mpg.de>
Date: Fri, 24 Apr 2020 17:27:37 +0200
Subject: [PATCH] Update DV_creator.py
---
sample/input/descriptor_vectors/W/DV_creator.py | 7 ++++++-
1 file changed, 6 insertions(+), 1 deletion(-)
diff --git a/sample/input/descriptor_vectors/W/DV_creator.py b/sample/input/descriptor_vectors/W/DV_creator.py
index 09e4e7c..e77b6c1 100644
--- a/sample/input/descriptor_vectors/W/DV_creator.py
+++ b/sample/input/descriptor_vectors/W/DV_creator.py
@@ -72,12 +72,17 @@ for i in range(0,51):
#for i in range(0,51):
# file_1.write("{0} \n".format(arr[432,i]))
-#### bcc DV ##################################
+#### vacancy DV ##################################
#print('Results are given in: vacancy_vector.dat')
#file_1 = open('vacancy_vector.dat','w')
#for i in range(0,51):
# file_1.write("{0} \n".format(arr[274,i]))
+#### typea DV ##################################
+print('Results are given in: typea_vector.dat')
+file_1 = open('typea_vector.dat','w')
+for i in range(0,51):
+ file_1.write("{0} \n".format(arr[273,i]))
--
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