<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt">Dear Nicola and also Andrea Dal Corso<br>Thanks,<br>your assistant was very helpful and offered very good advice.<br><br>Best Regards,<br>Romeda<br><div><br></div> <div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"> <div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"> <div dir="ltr"> <font face="Arial" size="2"> <hr size="1"> <b><span style="font-weight: bold;">From:</span></b> Nicola Marzari <nicola.marzari@epfl.ch><br> <b><span style="font-weight: bold;">To:</span></b> Romeda Azeen <romeda_8@yahoo.com>; PWSCF Forum <pw_forum@pwscf.org> <br> <b><span style="font-weight: bold;">Sent:</span></b> Monday, September 3, 2012 7:01 PM<br> <b><span style="font-weight: bold;">Subject:</span></b> Re: [Pw_forum] Pseudopotential for Hafnium (Hf)<br> </font> </div>
<br>
<br>Dear Romeda, and everyone else,<br><br>you should try out the ps_library from QE forge. Download it,<br>and ready carefully the AAREADME. Thank Andrea Dal Corso in<br>the process. Report on this list any result that looks odd.<br><br>We compiled all the pseudos, and they can be found here:<br>http://theossrv1.epfl.ch/index.php?n=Main.Links<br><br>Look for USPPs using e.g. pbe, i.e. pbe.tgz . Read carefully<br>the readme file mentioned above regarding the different directories<br>pseudopotentials, pseudopotentials_tot, and pseudopotentials_alt.<br><br> nicola<br><br><br>On 03/09/2012 14:30, Romeda Azeen wrote:<br>> Dear PW Forum,<br>> I have a question about of pseudopotential of Hafnium Metal.<br>> I want to do some computation on HfV2 under USPP (Vanderbilt's scheme),<br>> but I can't find any available USPP of Hafnium.<br>> What should I do,will you give me some
hints/assistant?<br>> Thanks in advance.<br>><br>> --<br>> Romeda Azeen<br>> Bhavnagar University Bhavnagar 364002 Gujarat, India.<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>> http://www.democritos.it/mailman/listinfo/pw_forum<br>><br><br><br>-- <br><br>----------------------------------------------------------------------<br>Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL<br><br><br> </div> </div> </div></body></html>