From lmartinsamos at gmail.com Mon May 14 11:06:37 2012 From: lmartinsamos at gmail.com (Layla Martin-Samos) Date: Mon, 14 May 2012 11:06:37 +0200 Subject: [Pw_users] Quantum ESPRESSO release 5.0 Message-ID: Version 5.0 of the Quantum ESPRESSO distribution is available for download from the website http://www.quantum-espresso.org . This release contains the following improvements over previous versions: * More ways of calculating electron-phonon coefficients. * Full DFT+U scheme (with J and additional parameters) implemented. Should work also for fully-relativistic calculations. * band parallelization for Green function sum in EXX (memory replication). Note the following major changes: * The directory structure has been re-organized to better reflect the division into packages. As a consequence, almost nothing is in the same directory where it used to be * It is no longer needed to download the entire distribution: the base package will download the required packages at compile time * compilation with -DEXX no longer required for hybrid functionals and the following incompatibilities: * Postprocessing codes dos.x, bands.x, projwfc.x, now use namelist &dos, &bands, &projwfc respectively, instead of &inputpp * Options 'cubic'/'hexagonal' to CELL_PARAMETERS removed: it is no longer useful, the code will anyway find the correct sym.ops. * Options 'bohr'/'angstrom'/'alat' to CELL_PARAMETERS implemented * PHonon: input variable 'elph' replaced by 'electron_phonon' For other minor improvements, changes, bug fixes, see file Doc/release-notes Everybody who is using the Quantum ESPRESSO distribution is encouraged to upgrade and to report problems to the mailing list. The Quantum ESPRESSO group -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_users/attachments/20120514/26101fe0/attachment.htm From lmartinsamos at gmail.com Fri May 18 08:58:08 2012 From: lmartinsamos at gmail.com (Layla Martin-Samos) Date: Fri, 18 May 2012 08:58:08 +0200 Subject: [Pw_users] Change in the number of qe-forge users Message-ID: Dear all, we are thinking in moving qe-forge from fusionforge to gforge. Unfortunately it seems that gforge ask for a commercial License which pro-year prince will depends on the number of users. As all of you know, nor Quantum ESPRESSO nor qe-forge have any direct financial support, so we can not afford big expenses. In order to reduce potential costs of the gforge commercial License, our system administrator has eliminated all the qe-forge users that are not bound to any qe-forge project. Depending on the License price then or we move to gforge or we stay with fusionforge. In any case we will let you know in order to rationalize the qe-forge users. Sorry for the inconvenience, best regards Layla -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_users/attachments/20120518/1abef484/attachment.htm From lmartinsamos at gmail.com Fri May 18 09:08:25 2012 From: lmartinsamos at gmail.com (Layla Martin-Samos) Date: Fri, 18 May 2012 09:08:25 +0200 Subject: [Pw_users] Quantum ESPRESSO Highlights 2011, thank s to all contributors Message-ID: Dear all, as you have probably noticed in our new HOME page we have introduced 4 immages that correspond to the "call for immages and quantum ESPRESSO highlights 2011" that we sent to pw_forum some months ago. We would like to thank all the participants for their kind contribution. At the end of the year we will renew the call for Quantum ESPRESSO highlights 2012! good work and "May the GIMP be with you" ;-) Layla -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_users/attachments/20120518/2a6b476c/attachment.htm From lmartinsamos at gmail.com Fri May 18 09:27:11 2012 From: lmartinsamos at gmail.com (Layla Martin-Samos) Date: Fri, 18 May 2012 09:27:11 +0200 Subject: [Pw_users] [Q-e-developers] Change in the number of qe-forge users In-Reply-To: <67C89F8F-070D-439E-A405-DE8AE0F78171@epfl.ch> References: <67C89F8F-070D-439E-A405-DE8AE0F78171@epfl.ch> Message-ID: Dear Giovanni, if I am not wrong github is for git version management. Most of the projects on qe-forge use svn or cvs. When we decide to move from cvs to svn we also have considered the possibility of moving to git. However, as we say in italianish "we know our chickens", and the "unlimited" freedom that gives git could have introduced many coordination issues in the quantum ESPRESSO global management. thank you for your suggestion Layla 2012/5/18 Giovanni Cangiani > what about github ? > > best, > > Giovanni > > -- > Giovanni Cangiani > > On May 18, 2012, at 8:58, Layla Martin-Samos > wrote: > > > Dear all, we are thinking in moving qe-forge from fusionforge to gforge. > Unfortunately it seems that gforge ask for a commercial License which > pro-year prince will depends on the number of users. As all of you know, > nor Quantum ESPRESSO nor qe-forge have any direct financial support, so we > can not afford big expenses. In order to reduce potential costs of the > gforge commercial License, our system administrator has eliminated all the > qe-forge users that are not bound to any qe-forge project. Depending on the > License price then or we move to gforge or we stay with fusionforge. In any > case we will let you know in order to rationalize the qe-forge users. > > > > Sorry for the inconvenience, best regards > > > > Layla > > _______________________________________________ > > Pw_users mailing list > > Pw_users at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_users > _______________________________________________ > Q-e-developers mailing list > Q-e-developers at qe-forge.org > http://qe-forge.org/mailman/listinfo/q-e-developers > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_users/attachments/20120518/e2e5531e/attachment.htm