[fix]: Changing CUT unit in minushalf_results file from Angstroms to …

…Atomic Unit
gmsn-ita · Jun 6, 2021 · 45d686c · 45d686c
1 parent 420039f
commit 45d686c
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/minushalf/utils/make_minushalf_results.py b/minushalf/utils/make_minushalf_results.py
@@ -33,7 +33,7 @@ def make_minushalf_results(
         for key, value in valence_cuts.items():
             symbol = key
             cut = value
-            file.write("\t({}):{:.2f}A\n".format(symbol, cut))
+            file.write("\t({}):{:.2f} a.u\n".format(symbol, cut))
         file.write(
             "----------------------------------------------------------------\n"
         )
@@ -43,7 +43,7 @@ def make_minushalf_results(
             for key, value in conduction_cuts.items():
                 symbol = key
                 cut = value
-                file.write("\t({}):{:.2f}A\n".format(symbol, cut))
+                file.write("\t({}):{:.2f} a.u\n".format(symbol, cut))
             file.write(
                 "----------------------------------------------------------------\n"
             )