<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 Lorenzo,<br><br>Thank you very much.<br>In LDA+U calculation I also see these warning, so what will be the risk or unreliability.<br><br>Vi<br><div><br></div><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><br><div style="font-family:arial, helvetica, sans-serif;font-size:13px"><font face="Tahoma" size="2"><hr size="1"><b><span style="font-weight: bold;">From:</span></b> Lorenzo Paulatto <lorenzo.paulatto@impmc.upmc.fr><br><b><span style="font-weight: bold;">To:</span></b> PWSCF Forum <pw_forum@pwscf.org><br><b><span style="font-weight: bold;">Sent:</span></b> Tue, July 26, 2011 12:16:40 AM<br><b><span style="font-weight: bold;">Subject:</span></b> Re: [Pw_forum] (no subject)<br></font><br>
In data 26 luglio 2011 alle ore 01:31:57, Vi Vo <<a ymailto="mailto:vovi47@yahoo.com" href="mailto:vovi47@yahoo.com">vovi47@yahoo.com</a>> ha <br>scritto:<br>> I was doing a test calculation for CuO and got a message:<br>> " WARNING: atomic wfc # 6 for atom type 1 has zero norm<br>> WARNING: atomic wfc # 6 for atom type 2 has zero norm<br>> WARNING: atomic wfc # 2 for atom type 3 has zero norm<br>> WARNING: atomic wfc # 4 for atom type 3 has zero norm<br>> WARNING: atomic wfc # 5 for atom type 3 has zero norm<br>><br>> The norm of the wfc is zero. Why does it happen? Does it depend on <br>> the pseudo<br><br>It is not the wfc, but the atomic wfc. Unless you are doing an lda+U <br>calculation yo ucan safely ignore the warning.<br><br>best regards<br><br>--
<br>Lorenzo Paulatto IdR @ IMPMC/UPMC CNRS & Université Paris 6<br>phone: +33 (0)1 44275 084 / skype: paulatz<br><span>www: <a target="_blank" href="http://www-int.impmc.upmc.fr/%7Epaulatto/">http://www-int.impmc.upmc.fr/~paulatto/</a></span><br>mail: 23-24/4é14 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05<br>_______________________________________________<br>Pw_forum mailing list<br><a ymailto="mailto:Pw_forum@pwscf.org" href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br><span><a target="_blank" href="http://www.democritos.it/mailman/listinfo/pw_forum">http://www.democritos.it/mailman/listinfo/pw_forum</a></span><br></div></div>
</div></body></html>