Dateien nach "Butadien/p_{0,14}" hochladen

2026-08-27 14:11:20 +02:00
parent 0776be4aa7
commit 7891d3d0d5
3 changed files with 19 additions and 0 deletions
@@ -0,0 +1,5 @@
+!PBE D4 DEF2-SVP OPT
+
+%PAL NPROCS 10 END
+
+* xyzfile 0 1 orca.xyz