diff --git a/sample/input/descriptor_vectors/W/DV_creator.py b/sample/input/descriptor_vectors/W/DV_creator.py index 09e4e7ccd2915d10d4033208438cabcb51617a34..e77b6c1289137be138d0bddb758e7b43b87da5f4 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]))