[Wien] 'Anisotropic hyperfine parameters'

[Peter Blaha]

You need to use spin-orbit coupling.
Then use lapwdm (and maybe dipan) packages (see UG).

Ahmad Ranjbar schrieb:
> Dear WIEN2K users,
> 
> The purpose of my calculations is  to get isotropic  and anisotropic hyperfine parameters for my system using WIE2K code.
> I use this command " runsp_lapw  -p -ec 0.0001 -cc 0.0001  -NI"  on supercomputer in out institute. 
> When i check  the "case.scf" output file , i can just find Fermi contact field. I am wondering if there is any method to get anisotropic hyperfine parameter as well?
> 
> Thank you very much for your cooperation.
> 
> Best regards,
> 
> Ahmad
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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