[Wien] :RTO not present in case.scf (WIEN2k 13.1)

Yamiel Abreu Alfonso yabreu at ceaden.edu.cu
Mon Oct 14 22:35:30 CEST 2013


Hello WIEN2k Users:

I am using WIEN2k 13.1 to calculate hyperfine parameters in 
semiconductors samples and I use the related values outputs:

:EFG

:ETA

:HFF

:RTO

I recently updated to the last WIEN2k version (13.1) and the parameter 
:RTO is not present in the case.scf file after a complete SCF calculation.

Did that parameter name change?

I should set other options to get that parameter value?

I checked the UserGuide and it is still mentioned in the section "4.4 
The "history" file case.scf".

:RTOxxDensity for atom xx at the nucleus (first radial mesh point)

So, it is strange that is not present in the case.scf file.

Any comment or answer is really appreciated.

Best regards.

Yamiel.

-- 
<div> ====================================================================== </div>
<div> M.Sc. Yamiel Abreu Alfonso </div>
<div> ====================================================================== </div>
<div> Lab. de Daño por Irradiación. Departamento de Física. </div>
<div> Centro de Aplicaciones Tecnológicas y Desarrollo Nuclear (CEADEN). </div>
<div> Calle 30 #502 esq. 5ta Ave. Miramar, Playa, C. Habana, Cuba. CP 11300. </div>
<div> P.O.Box: 6122. Tel/Fax: (+53)(7) 202 1518. </div>
<div> ====================================================================== </div>
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<div> e-mail: yabreu at ceaden.edu.cu </div>
<div> Tel: (+53)(7) 206 6109. </div>
<div>   </div>


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