Please note that the kramers-kronig transformation is non-additive for
spin-up + spin-dn.
Thus one should use addjoint-updn_lapw to combine the up and dn-spin
eps-2 after joint and execute x kram without -up/dn switch.
Have a look into the UG (addjoint-updn + joint)
Am 11.01.2019 um 12:32 schrieb Karel Vyborny:
In the basic form, run
x optic -c -up
x joint -up
x kram -up
after finishing the self-consistent loop. These are three programs of
the package which need their own input files. Look it up in the UG. To
get the
spin down part, use -dn instead of -up
Karel
--- x ---
dr. Karel Vyborny
Fyzikalni ustav AV CR, v.v.i.
Cukrovarnicka 10
Praha 6, CZ-16253
tel: +420220318459
On Fri, 11 Jan 2019, karima Physique wrote:
Dear Wien2k users;
how to calculate the dielectric function for spin-up only? or for
spin-dn only?
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