Molecular orbital eigenvalues file [Optional]
This file is also generated using the trex2champ.py converter if the parent .hdf5 file contains the orbital eigenvalues.
A typical file looks like this:
# File created using the trex2champ converter https://github.com/TREX-CoE/trexio_tools
# Eigenvalues correspond to the RHF orbitals
eigenvalues 64
-1.3659 -0.7150 -0.5814 -0.5081 0.1201 0.1798 0.4846 0.5148 0.5767 0.6085 0.7153 0.7820 0.8691 0.8699 0.9642 1.2029 1.4091 1.4388 1.6082 1.6342 2.0787 2.1179 2.1776 2.2739 2.4123 2.5591 2.8217 3.3480 3.3840 3.4544 3.4607 3.6199 3.6237 3.9628 3.9661 4.0439 4.0481 4.2212 4.3500 4.4225 4.4577 4.5747 4.7271 4.8382 5.0086 5.5800 5.8020 6.0317 6.3754 6.5827 6.6970 6.7474 6.9245 7.0790 7.1820 7.2121 7.3257 7.3865 7.8607 8.4146 8.4733 9.0201 16.4980 27.1462
end
The first line contains a keyword eigenvalues followed by the number of orbitals. The following line contains eigenvalues as they appear in GAMESS or similar output. The file ends with keyword end.