[Wien] [SPAM maybe] The dielectric function

[Peter Blaha]

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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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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