New developments in the GDIS simulation package: Integration of VASP and USPEX

New developments in the GDIS simulation package: Integration of VASP and USPEX

A popular first principles simulation code, the Vienna Ab initio Simulation Package (VASP), and a crystal structure prediction (CSP) package, the Universal Structure Predictor: Evolutionary Xtallography (USPEX) have been integrated into the GDIS visualization software. The aim of this integration is...

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Bibliographic Details
Main Authors: Okadome Valencia, H., Wang, B., Frapper, G., Rohl, Andrew Lloyd
Format: Journal Article
Language:English
Published: WILEY 2021
Subjects:
Science & Technology
Physical Sciences
Chemistry, Multidisciplinary
Chemistry
computational chemistry
GDIS
USPEX
VASP
visualization software
CRYSTAL-STRUCTURE PREDICTION
TOTAL-ENERGY CALCULATIONS
MOLECULAR-DYNAMICS
PROGRAM
PSEUDOPOTENTIALS
REPRESENTATION
ALGORITHM
CELL
Online Access:http://hdl.handle.net/20.500.11937/92381

Internet

http://hdl.handle.net/20.500.11937/92381

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