test/conditionanalyzer/01/01-ENCUT/700/try01/CONTCAR in vasputils-0.0.12 vs test/conditionanalyzer/01/01-ENCUT/700/try01/CONTCAR in vasputils-0.1.1
- old
+ new
@@ -1,13 +1,13 @@
Mg
- 1.00000000000000
- 3.1674719059543435 0.0000000000000000 0.0000000000000000
- -1.5837359529771717 2.7431111362568532 0.0000000000000000
- 0.0000000000000000 0.0000000000000000 5.1442019842828151
- Mg
- 2
+ 1.00000000000000
+ 3.1674719059543435 0.0000000000000000 0.0000000000000000
+ -1.5837359529771717 2.7431111362568532 0.0000000000000000
+ 0.0000000000000000 0.0000000000000000 5.1442019842828151
+ Mg
+ 2
Direct
- 0.3333333429999996 0.6666666870000029 0.2500000000000000
- 0.6666666269999979 0.3333333129999971 0.7500000000000000
-
- 0.00000000E+00 0.00000000E+00 0.00000000E+00
- 0.00000000E+00 0.00000000E+00 0.00000000E+00
+ 0.3333333429999996 0.6666666870000029 0.2500000000000000
+ 0.6666666269999979 0.3333333129999971 0.7500000000000000
+
+ 0.00000000E+00 0.00000000E+00 0.00000000E+00
+ 0.00000000E+00 0.00000000E+00 0.00000000E+00