Download applypatch-msg.sample (NESSIE-CODE)

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NESSIE-CODE Overview

NESSIE is a modern first-principle calculation software that can adequately address the need for ever-higher levels of numerical accuracy and high-performance in large-scale electronic structure simulations, as well as pioneer the fundamental study of quantum many-body effects in a large number of emerging nanomaterials.

NESSIE is an electronic structure code that uses a real-space FEM discretization and domain-decomposition (DD) to perform all-electron ground-state DFT and real-time excited-state TDDFT calculations. The code is written to take advantage of multilevel parallelisms of the FEAST eigenvalue solver to target systems containing many distributed-memory compute nodes. The real space mesh is generated using the software tetgen.

Additional Details for NESSIE-CODE

Operating Systems

Linux

Intended Audience

Engineering, Science/Research

User Interface

Console/Terminal

Programming Language

Fortran

Registered

2022-04-21

Last Updated

2022-04-24

Maintainers

epolizzi

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