Dear Simon Thank you for the accurate information. I had dumped the trunk and didn't find anything new indeed... Yours Giuseppe
On Monday 21 January 2013 10:35:18 Simon Binnie wrote: > Dear Giuseppe, > > XSpectra hasn't been updated (to my knowledge). EXX has been implemented > in turboTDDFT but currently only in the norm-conserving case. The code is > currently in a separate branch of the svn due to some slight > incompatibilities with PHonon routines that have now been fixed. It should > be in the main trunk cleaned up and with some documentation by the end of > the week. > > Best regards, > > Simon > > > > > On Fri, 18 Jan 2013 15:15:44 +0100, Giuseppe Mattioli > > <giuseppe.mattioli at ism.cnr.it> wrote: > > 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>
