Dateien nach "Butadien/p_{0,3}" hochladen

This commit is contained in:
2026-08-27 11:36:41 +02:00
parent 16727eae67
commit 81742972ab
5 changed files with 6295 additions and 0 deletions
+5
View File
@@ -0,0 +1,5 @@
!PBE D4 DEF2-SVP OPT
%PAL NPROCS 10 END
* xyzfile 0 1 orca.xyz