Hello + many thanks for GTPack.
I was not able to reproduce example in GTVibLatticeModes available in GTPack help files, namely:
Needs[“GroupTheory`”]
SetDirectory[NotebookDirectory[] <> “/datasets”];
GTLoadStructures[“GTPack”]; bto = GTGetStructure[7];
GTVibLatticeModes[bto, 1, Oh, GOLattice -> {a -> 1},
GOTbEquivalence -> False, GOIrepNotation -> “Mulliken”,
GOVerbose -> False]
using GTPack 1.32 and Mathematica $version: “12.0.0 for Microsoft Windows (64-bit) (April 6, 2019)”.
The output shows Equivalence representations, but not Vector ones or Lattice modes, see screenshot.
Not sure if bug or version incompatibility.
Thanks in advance!
Hi Mikhail,
Thanks for the question. I tried to run the same commands, and it works as expected. In your example, is the output of each individual command before meaningful?
I used GTPack 1.32 and Mathematica 12.3. Do you have the option to retry with a more recent Mathematica version?