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

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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

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