[DFTB-Plus-User] How to draw MOs from the xTB Hamiltonian calculations?

[DH HAN]

Dear all,

I'm sending this question about drawing MOs when using the xTB method again.

Does anybody know how to draw orbitals (get their cube files) when using
the xTB method in periodic condition?

I'd appreciate it if you could let me know whether the cube files are
available or not with the current version of DFTB+.

Thank you.

Daeho Han

MS-Ph.D student
Department of Chemistry
Ulsan National Institute of Science and Technology (UNIST)
108-805, Ulsan, S. Korea 44919
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