IntroductionThe BerkeleyGW Package is a set of computer codes that calculates the quasiparticle properties and the optical responses of a large variety of materials from bulk periodic crystals to nanostructures such as slabs, wires and molecules. The package takes as input the mean-field results from various electronic structure codes such as the Kohn-Sham DFT eigenvalues and eigenvectors computed with PARATEC, Quantum ESPRESSO, SIESTA, PARSEC, Octopus, or TBPW (aka EPM). To know more information, click here. Available Version: 1.2.0 Built on: GNU Programming Enviornment-6.0.4 To load the module module load berkeleygw/1.2.0/gcc-4.9.3 To check Environmental paths module show berkeleygw/1.2.0/gcc-4.9.3 Built on: GNU Programming Enviornment-6.0.4 To load the module module load berkeleygw/1.2.0/gcc-7.1.0 To check Environmental paths module show berkeleygw/1.2.0/gcc-7.1.0 Executable Binary : epsilon.cplx.x Note : Mention OMP_NUM_THREADS to 1 (or more if needed) – do not leave as default in the job script. Report Problems to:
If you encounter any problem in using this software please contact System Administrators in #103 |