From marsamos at democritos.it Fri Jul 2 14:50:07 2010 From: marsamos at democritos.it (marsamos at democritos.it) Date: Fri, 02 Jul 2010 14:50:07 +0200 Subject: [Pw_users] plumed for ESPRESSO-4.2 available Message-ID: <20100702145007.szbjy0beqscgg40c@mail.democritos.it> Dear All, the PLUMED plug-in for metadynamic calculations has been adapted to Quantum ESPRESSO-4.2 and is available at http://qe-forge.org/frs/?group_id=10 There is also an additional README (README.plumed.xlc_compiler) for those that uses ibm machines with xlc compiler. bests Layla -- Dr. L. Martin-Samos tel. +39 040 3787 429 CNR-DEMOCRITOS and International School for Advanced Studies (ISAS-SISSA) via Beirut 2-4 34151 Trieste Italy ---------------------------------------------------------------- This message was sent using IMP, the Internet Messaging Program. From marsamos at democritos.it Mon Jul 26 17:29:43 2010 From: marsamos at democritos.it (marsamos at democritos.it) Date: Mon, 26 Jul 2010 17:29:43 +0200 Subject: [Pw_users] Hand's on Workshop annoucement: nanoexcite2010 Message-ID: <20100726172943.sbqzny0j8c8o080o@mail.democritos.it> SISSA and CNR-IOM-DEMOCRITOS are organizing a Hand's on Workshop on electronic excitations, nanoexcite2010. During the workshop advanced concepts of Time Dependent Density Functional Theory, GW and Bethe-Salpeter Equation will be introduced. Short theoretical lectures will be followed by extensive hands-on classes. Participants will have the opportunity of testing on realistic systems the theoretical tools by using several public codes and their respective dedicated tutorials. The codes that will be used are * PWscf * Yambo * Sax * Real-Time TDDFT * TDFTPT * GWL Participants are expected to have a strong background in Density Functional Theory and long experience with Quantum ESPRESSO. The Workshop will be held at SISSA (Trieste, Italy) from October 18th to 22th. For further information and subscription please see http://www.democritos.it/nanoexcite2010 bests Layla -- Dr. L. Martin-Samos tel. +39 040 3787 429 CNR-DEMOCRITOS and International School for Advanced Studies (ISAS-SISSA) via Beirut 2-4 34151 Trieste Italy ---------------------------------------------------------------- This message was sent using IMP, the Internet Messaging Program.