Dear WIEN2k usres;<br><br>I am trying to use B3PW91 in my case. According to UG, It must be apply in "lstart" <br>but only GGA, PBE, and LSDA are accepting. I Initialize my case with LSDA(5) and<br>before running SCF, I change potential number in case.in0 to 18. I start SCF by EECE<br>
to use hybrid function.<br><br>Is My work true? If no, Please guide me.<br>Thanks<br>-- <br>Hamid Abbaszadeh<br>Sharif universuty of Technology<br>Tehran, IRAN<br>Mobile: +98(914)4132419<br>e-mail: <a href="mailto:abbaszadeh@physics.sharif.edu">abbaszadeh@physics.sharif.edu</a>