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Dear Paolo,<br><br>My calculations with the CPMD converted pseudopotentials are running correctly now.<br><br>Thanks again for your time,<br><br>Ali@LPTMC-UMPC<br><div><div id="SkyDrivePlaceholder"></div>> From: giannozz@democritos.it<br>> Date: Sun, 20 Jan 2013 18:40:53 +0100<br>> To: pw_forum@pwscf.org<br>> Subject: Re: [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials<br>> <br>> <br>> On Jan 20, 2013, at 12:58 , Ali KACHMAR wrote:<br>> <br>> > Is there any risk to take the max local= 1 in this case:<br>> <br>> of course there isn't any: in the worst-case scenario, you<br>> just get bad results. Just try and see what happens.<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>> Pw_forum@pwscf.org<br>> http://pwscf.org/mailman/listinfo/pw_forum<br></div> </div></body>
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