Dear Stefano (and all) Thank you for the valuable information. Do you know if hybrid HF/DFT kernels have been also implemented in the case of core-->valence adsorption processes calculated by using the xspectra code? Yours
Giuseppe On Friday 18 January 2013 14:18:24 Stefano Baroni wrote: > It has been implemented in turbotddft, though ... > I think it is available in the svn version of that code. Others may want to > confirm. S. > > On Jan 18, 2013, at 1:41 PM, Davide Ceresoli wrote: > > Dear Jarkko, > > > > unfortunately this is not possible. Linear response with Hartree-Fock > > > > is not a piece of cake in QE. > > > > Best wishes, > > > > Davide > > > > On 01/18/2013 10:21 AM, Jarkko V?h?kangas wrote: > >> Hi, > >> > >> Is it possible in QE to use hybrid functionals for GIPAW calculations? > >> If it is where can I find such pseudo potentials? > >> > >> thanks, Jarkko > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://pwscf.org/mailman/listinfo/pw_forum > > --- > Stefano Baroni - http://stefano.baroni.me, stefanobaroni (skype) > on leave of absence from SISSA, Trieste, presently at the Department of > Materials, EPF Lausanne (until March 2013) > > I believe in the despotism of human life and happiness against the liberty > of money and possessions - John Steinbeck -- ******************************************************** - Article premier - Les hommes naissent et demeurent libres et ?gaux en droits. Les distinctions sociales ne peuvent ?tre fond?es que sur l'utilit? commune - Article 2 - Le but de toute association politique est la conservation des droits naturels et imprescriptibles de l'homme. Ces droits sont la libert?, la propri?t?, la s?ret? et la r?sistance ? l'oppression. ******************************************************** Giuseppe Mattioli CNR - ISTITUTO DI STRUTTURA DELLA MATERIA v. Salaria Km 29,300 - C.P. 10 I 00015 - Monterotondo Stazione (RM) Tel + 39 06 90672836 - Fax +39 06 90672316 E-mail: <giuseppe.mattioli at ism.cnr.it>
