[Wien] elf calculations ?
Sebastien Petit
sebastien.petit at ensicaen.fr
Tue Jul 1 08:16:39 CEST 2014
Dear,
I would like to know if it is possible to extract ELF values from a
wien2k calculations.
In fact, I would like to use the program named critic2 in order to
identify the critical
points of this function after a wien2k calculation.
If the direct calculation is not possible, do you know where the kinetic
energy
density $\tau(\vec{r})$ is saved ? It is one of the ingredient of ELF
and I think that wien2k
has to calculate this quantity for mBJ functionals.
Thanks for your help
Sebastien Petit
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