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Crystal_HfO2_bulk: CRYSTAL calculations on bulk monoclinic Hafnium Oxide.

RMIT University
Salvy Russo (Managed by)
Viewed: [[ro.stat.viewed]] Cited: [[ro.stat.cited]] Accessed: [[ro.stat.accessed]]
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/300-000-0001&rft.title=Crystal_HfO2_bulk: CRYSTAL calculations on bulk monoclinic Hafnium Oxide.&rft.identifier=http://www.rmit.edu.au/HPC/300-000-0001&rft.publisher=RMIT University&rft.description=The file designated INPUT gives the geometry, basis set and scf parameters used in this run. The file format is the standard CRYSTAL file format used in the CRYSTAL09 code. Details of this format can be found in the CRYSTAL09 user manual found at http://www.crystal.unito.it/ The OUTPUT file gives the details of the runs at each scf step. Computation resource information is also given in file CRYSTAL.resource This job was conducted as part of a study into Nonvolatile memories using deep traps formed in HfO2 ion implantation. 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=Condensed Matter Physics&rft_subject=Physical Sciences&rft_subject=Theoretical and Computational Chemistry&rft_subject=Chemical 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 file designated INPUT gives the geometry, basis set and scf parameters used in this run. The file format is the standard CRYSTAL file format used in the CRYSTAL09 code. Details of this format can be found in the CRYSTAL09 user manual found at http://www.crystal.unito.it/

The OUTPUT file gives the details of the runs at each scf step. Computation resource information is also given in file CRYSTAL.resource

This job was conducted as part of a study into Nonvolatile memories using deep traps formed in HfO2 ion implantation.

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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