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Hello,

There is a disagreement between "e_0_energy"s written in vasprun.xml.
Is this spec ?

I attach my calculation result of vasprun.xml by vasp 4.6.27 serial below.
The vasprun.xml is really useful. I like it.
Thank you,

<modeling>
<calculation>
<scstep>
<i name="e_fr_energy"> -43.37482438</i>
<i name="e_wo_entrp"> -43.37482438</i>
<i name="e_0_energy"> -43.37482438</i>
</energy>
</scstep>
</calculation>
</modeling>

<modeling>
<calculation>
<energy>
<i name="e_fr_energy"> -43.37482438</i>
<i name="e_wo_entrp"> -43.37482438</i>
<i name="e_0_energy"> 0.00000000</i>
</energy>
</calculation>
</modeling>

e_0_energy is written with different arguments during a VASP run:
1)
during the electronic scf steps,
it denotes the total energy without the entropy contribution
2)
at the end of a ionic step, it denotes the entropy contribution itself
(which is 0 in your case).

Thank you.