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because hybrid functionals work together only with norm-conserving pseudopotentials. The PP's you used are Ultrasoft PP's.<br><br>Yun-Peng<br><br><div><div id="SkyDrivePlaceholder"></div>> Date: Mon, 19 Dec 2011 10:30:55 +0530<br>> From: divyasrivastava@jncasr.ac.in<br>> To: pw_forum@pwscf.org<br>> Subject: [Pw_forum] Fwd: No subject<br>> <br>> <br>> Divya Srivastava<br>> Research Associate<br>> TSU, JNCASR<br>> Jakkur, Bangalore-64<br>> Tel: 080-2208-2834<br>> <br>> <br>> --- Original message follows ---<br>> Subject: No subject<br>> From: Divya Srivastava <divyasrivastava@jncasr.ac.in><br>> To: "pw_forum-request@pwscf.org" <pw_forum-request@pwscf.org><br>> Date: 19-12-2011 10:03<br>> <br>> <br>> Hi <br>> I wish to do hybrid DFT on CusScS2 compound. I am not getting proper potential that I can use. <br>> If I am using "(Cu,Sc,S).pz-n-van_ak.UPF " type of potentials I am getting following error : <br>> from setup : error # 1<br>> HYBRID XC not implemented for USPP or PAW<br>> I am using espresso-4.3 for this calculation, pbe0.<br>> <br>> <br>> Divya Srivastava<br>> Research Associate<br>> TSU, JNCASR<br>> Jakkur, Bangalore-64<br>> Tel: 080-2208-2834<br>> _______________________________________________<br>> Pw_forum mailing list<br>> Pw_forum@pwscf.org<br>> http://www.democritos.it/mailman/listinfo/pw_forum<br></div> </div></body>
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