I am a graduate student trying to apply the AENET(atomistic energy network) for my work. I have a problem with decision of "TYPES" tag in generate.in.
In the AENET manual, an example of "TYPES" tag is shown like
TYPES
2
O -432.503149303 ! eV
Ti -1604.604515075 ! eV
however the value written next to each elements, so called "atomic energy", seem quite smaller than actual energy of an isolated atom.(For example the energy of O atom which I calculated by VASP is -0.058 eV)
Would anyone please teach me the definition of the "atomic energy" required to write in "TYPES" tag in generate.in.
I would like you to pardon my ignorance and terrible English.
Regards,
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