IntroductionIt is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.To know more information, click here. Available Versions:
Built on: GNU Programming Enviornment-6.0.4 To load the module
To check Environmental paths
Executable Binary : pw.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 |