Home > Research > Datasets > Input and output files for study of use of Trai...

Research

Electronic data

DOI

View graph of relations

Input and output files for study of use of Trail-Needs pseudopotentials in quantum Monte Carlo calculations.

Dataset

  • Neil Drummond (Creator)
  • J. R. Trail (Contributor)
  • Richard Needs (Contributor)

Description

Gzipped tar file PSP_tests.tar.gz holding CASINO input and output files for study of use of Trail-Needs pseudopotentials in quantum Monte Carlo calculations.

Gzipped tar file Gauss_DFT.tar.gz holding Molpro input and output files for study of use of Trail-Needs pseudopotentials in quantum Monte Carlo calculations.
Date made available20/10/2016
PublisherLancaster University

Contact person