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Dataset

GULP Au_1415 : GULP calculation of a 1415 icoshedral gold cluster.

RMIT University
Professor Ian Snook (Managed by) Salvy Russo (Managed by)
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ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rfr_id=info%3Asid%2FANDS&rft_id=http://www.rmit.edu.au/HPC/300-000-0005&rft.title=GULP Au_1415 : GULP calculation of a 1415 icoshedral gold cluster.&rft.identifier=http://www.rmit.edu.au/HPC/300-000-0005&rft.publisher=RMIT University&rft.description= The input file GULP.gin gives all the input file parameters and structural coordinates for this run. The file format is the standard GULP file format used in the GULP code. Details of this format can be found in the GULP user manual found at https://projects.ivec.org/gulp/ OUTPUT file description: GULP output for this run is given in file GULP.gout. Computation resource information is also given in file GULP.resource Research Outcome: The results from this run were used in the study of defects in icosahedral gold clusters. The data might be collected from the following HPC environments: The NCI Supercomputer National Facility, The VPAC Supercomputer Facility, and The RMIT HPC Facility. &rft.creator=Anonymous&rft.date=2011&rft_subject=Theoretical and Computational Chemistry&rft_subject=Chemical Sciences&rft_subject=Condensed Matter Physics&rft_subject=Physical Sciences&rft.type=dataset&rft.language=English Go to Data Provider

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Contact Information

salvy.russo@rmit.edu.au

Applied Science, RMIT University Melbourne VIC 3000 Australia

Brief description

The input file GULP.gin gives all the input file parameters and structural coordinates for this run. The file format is the standard GULP file format used in the GULP code. Details of this format can be found in the GULP user manual found at https://projects.ivec.org/gulp/
OUTPUT file description:
GULP output for this run is given in file GULP.gout. Computation resource information is also given in file GULP.resource

Research Outcome:
The results from this run were used in the study of defects in icosahedral gold clusters.

The data might be collected from the following HPC environments: The NCI Supercomputer National Facility, The VPAC Supercomputer Facility, and The RMIT HPC Facility.
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