Copyright 2012 QEforge Fri, 18 May 2012 02:43:55 GMT QEforge Full Project Listing http://qe-forge.org/ QEforge Full Project Listing lmartinsamos@gmail.com en-us test qe-forge http://qe-forge.org/projects/test-qeforge/ yet an other test RECOMBinations http://qe-forge.org/projects/recomb/ Recomb is a Fortran code for Coulomb-driven recombination rates calculations, based on density-functional theory, plane waves and pseudopotentials. Lifetimes are calculated using Fermi's golden rule. QE-GPU http://qe-forge.org/projects/q-e-gpu/ This independent repository collects various GPU piece of codes related to the Quantum ESPRESSO suite in order to exploit new hybrid CPU+GPU high performance computing systems. QMMM wrapper http://qe-forge.org/projects/qmmmw/ QMMM wrapper is based on the original idea and code MS2 of Riccardo Di Meo. QMMMW, works as an interface between the Born-Oppenheimer DFT engine of Quantum ESPRESSO and the classical Dynamics engine of LAMMPS. phiGEMM http://qe-forge.org/projects/phigemm/ The phiGEMM library is a numerical library that implement Level 3 BLAS GEMM routines (S/D/C/Z) that take advantage of heterogeneous multi-core compute nodes (or workstation) equipped with NVIDIA GPU cards. EPW http://qe-forge.org/projects/epw/ EPW (Electron–Phonon coupling using Wannier functions) is a Fortran90 program for calculating the electron–phonon coupling in periodic systems using density-functional perturbation theory and maximally localized Wannier functions. iotk http://qe-forge.org/projects/iotk/ This is a library to perform input/output on xml files from FORTRAN. AIMPAC2 http://qe-forge.org/projects/aimpac2/ Unifying approaches to Bader Analysis in solids and isolated systems by reworking Bader et. al.'s AIMPAC code into a general library and front-ends to current and future electronic structure codes, with extended theoretical content. QE-ACFDT http://qe-forge.org/projects/qe-acfdt/ This is the home for the ACDFT effort inside QE distribution. 2light nonlinear Optics http://qe-forge.org/projects/twolight/ 2light code aims at the calculation of second-order nonlinear optical properties of solids and molecules in the framework of Time-Dependent Density-Functional Theory. It is based on periodic cells, plane-waves and pseudopotentials.