<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt">Dear Mike,<br><br>I suppose, you should read an exciting paper "<font size="2">Pseudopotentials that work: From H to Pu" in </font><font size="2">Phys. Rev. B
26,
4199–4228
(1982)</font><a href="http://publish.aps.org/search/field/author/Bachelet_G_B"> by G. B. Bachelet</a><sup class="aps-affref">*</sup>, <a href="http://publish.aps.org/search/field/author/Hamann_D_R">D. R. Hamann</a>, and <a href="http://publish.aps.org/search/field/author/Schluter_M">M. Schlüter</a><p>
</p><div> <br>Bests,<br>Eyvaz.<br></div>-------------------------------------------------------------------<br>Prof. Eyvaz Isaev, <br>Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden <br>Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, <br>isaev@ifm.liu.se, eyvaz_isaev@yahoo.com<div><br></div><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><br><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><font face="Tahoma" size="2"><hr size="1"><b><span style="font-weight: bold;">From:</span></b> mike at. <mikeat4999@gmail.com><br><b><span style="font-weight: bold;">To:</span></b> Pw_forum@pwscf.org<br><b><span style="font-weight: bold;">Sent:</span></b> Tue, March 22, 2011 7:11:02 PM<br><b><span style="font-weight: bold;">Subject:</span></b> [Pw_forum] core radius of pseudopotential for which
matches real wave function<br></font><br>
hi,<br><br>how can i tell the core radius ( cuttoff radius) , r_c , at which a pseudo potential is valid? ir for something like B.pz-vbc.UPF, how can i find out from which values the pseudo matches the *real* wavefunction? <br>
<br>Regards<br>M. O. ATAMBO.<br>Undergrad , Moi University <br>Chepkoilel University college<br>Kenya.<br><br>
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