Divya Srivastava Research Associate TSU, JNCASR Jakkur, Bangalore-64 Tel: 080-2208-2834
--- Original message follows --- Subject: No subject From: Divya Srivastava <[email protected]> To: "pw_forum-request at pwscf.org" <pw_forum-request at pwscf.org> Date: 19-12-2011 10:03 Hi I wish to do hybrid DFT on CusScS2 compound. I am not getting proper potential that I can use. If I am using "(Cu,Sc,S).pz-n-van_ak.UPF " type of potentials I am getting following error : from setup : error # 1 HYBRID XC not implemented for USPP or PAW I am using espresso-4.3 for this calculation, pbe0. Divya Srivastava Research Associate TSU, JNCASR Jakkur, Bangalore-64 Tel: 080-2208-2834
