Dateien nach "Butadien/p_{0,2}" hochladen

2026-08-27 11:34:13 +02:00
parent 05d9f6a58f
commit fcc722cf8f
5 changed files with 14920 additions and 0 deletions
@@ -0,0 +1,5 @@
+!PBE D4 DEF2-SVP OPT
+
+%PAL NPROCS 10 END
+
+* xyzfile 0 1 orca.xyz