[CP2K-user] [CP2K:19739] Print Hamiltonian matrix in xTB calculations

[mshakiba.k...@gmail.com]

Dear CP2K developers,

Hi, Is there anyway I can print the Hamiltonian matrix from an xTB 
calculations? I used &AO_MATRICES%KOHN_SHAM_MATRIX but it doesn't print it. 
It only prints it for DFT calculations.

Thanks in advance.

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/a255fa78-3fd9-4412-b213-c4f58f0ebea0n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20240112/4732559e/attachment.htm>