<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 Paolo,<br><br>Thank you very much.<br><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> Paolo Giannozzi <giannozz@democritos.it><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> Thu, July 28, 2011 8:33:51 AM<br><b><span style="font-weight: bold;">Subject:</span></b> Re: [Pw_forum] (no subject)<br></font><br>
<br>On Jul 26, 2011, at 21:29 , Vi Vo wrote:<br><br>> In LDA+U calculation I also see these warning, so what will be the <br>> risk or unreliability.<br><br>there is no risk, as long as bound atomic states are present in the <br>PP files.<br>I guess that the "zero-norm" states that are still present in some PP <br>files are<br>unbound states used uring thr generation of the PP. They do not <br>affect the<br>final results in any way.<br><br>P.<br>---<br>Paolo Giannozzi, Dept of Chemistry&Physics&Environment,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br><br><br><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"
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