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<p class="MsoNormal"><span lang="EN-CARRIBEAN">Hello WIEN2k Users:<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN">I am using WIEN2k
13.1 to calculate
hyperfine parameters in semiconductors samples and I use the
related values
outputs:<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN">:EFG<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN">:ETA<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN">:HFF<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN">:RTO<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN">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.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN">Did that parameter
name change? <o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN">I should set other
options to get
that parameter value?<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN">I checked the
UserGuide and it is
still mentioned in the section "4.4 The “history“ file
case.scf".<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN">:RTOxx<span
style="mso-spacerun:yes"> </span>Density for atom xx at the
nucleus (first
radial mesh point)<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN">So, it is strange
that is not
present in the case.scf file.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN">Any comment or answer
is really
appreciated.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN">Best regards.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-CARRIBEAN">Yamiel.<o:p></o:p></span></p>
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<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>
<div> </div>
<div> e-mail: <a class="moz-txt-link-abbreviated" href="mailto:yabreu@ceaden.edu.cu">yabreu@ceaden.edu.cu</a> </div>
<div> Tel: (+53)(7) 206 6109. </div>
<div> </div>
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