Parallel implementation of the projector augmented plane wave method for charged systems

DOI10.1016/S0010-4655(01)00413-1zbMath1170.81306MaRDI QIDQ1348021

Ryoichi Kawai, Marat Valiev, Eric J. Bylaska, John H. Weare

Publication date: 15 May 2002

Published in: Computer Physics Communications (Search for Journal in Brave)

Mathematics Subject Classification ID

Numerical methods for discrete and fast Fourier transforms (65T50) Parallel numerical computation (65Y05) Computational methods for problems pertaining to quantum theory (81-08)

Related Items (1)

\texttt{NWChem}: a comprehensive and scalable open-source solution for large scale molecular simulations

Uses Software

• FFTPACK

Cites Work

• Unnamed Item
• Unnamed Item
• Parallel fast Fourier transforms for electronic structure calculations
• An Algorithm for Least-Squares Estimation of Nonlinear Parameters

This page was built for publication: Parallel implementation of the projector augmented plane wave method for charged systems