- Committer: Alberto Garcia
- Date: 2016-09-28 07:49:18 UTC
- mfrom: (458.2.24 trunk)
- Revision ID: albertog@icmab.es-20160928074918-tkseebm14glvps7j
Implementation of Real-Time TDDFT
This implementation of Real-Time Time-Dependent Density Functional
Theory (RT-TDDFT) is based on an earlier one (serial only) by Daniel
Sanchez-Portal (ca. 2000-01) which had never been formally merged into
Siesta.
It currently only works for gamma-point calculations.
Please see the manual for options, and the file
Docs/branch-changes/NOTES.tddft for a technical overview.
(Rafi Ullah, based on work by Daniel Sanchez-Portal)
This implementation of Real-Time Time-Dependent Density Functional
Theory (RT-TDDFT) is based on an earlier one (serial only) by Daniel
Sanchez-Portal (ca. 2000-01) which had never been formally merged into
Siesta.
It currently only works for gamma-point calculations.
Please see the manual for options, and the file
Docs/branch-changes/NOTES.tddft for a technical overview.
(Rafi Ullah, based on work by Daniel Sanchez-Portal)
| Filename | Latest Rev | Last Changed | Committer | Comment | Size | ||
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branch-changes
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483.1.1 | 8 years ago | Alberto Garcia | Preparation of release notes for 4.0-beta * Inter |
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LitCode
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432.2.109 | 8 years ago | Alberto Garcia | Avoid stopping the program when the solver does no |
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older-release-notes
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483.1.1 | 8 years ago | Alberto Garcia | Preparation of release notes for 4.0-beta * Inter |
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tex
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527.1.1 | 8 years ago | Nick Papior | Enabled initial new documentation layout - Added |
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CHANGES |
525 | 8 years ago | Alberto Garcia | Merged 4.0-500 * Update list of contributors. * E | 0.9 MB |
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compatibility.tex |
554 | 8 years ago | Nick Papior | Run all tests, solved merge problems and updated c | 4.6 KB |
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Contributors.txt |
569 | 8 years ago | Alberto Garcia | Implementation of Real-Time TDDFT This implementa | 2 KB |
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Makefile |
527.1.20 | 8 years ago | Nick Papior | Enabled size compilation of manual, as well as scr | 3.6 KB |
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README |
527.1.17 | 8 years ago | Nick Papior | Finalized transiesta documentation - All tbtrans | 318 bytes |
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release.sh |
560.1.13 | 8 years ago | Nick Papior | Removed __FILE__ reference in class_Distribution | 5.8 KB |
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REPORTING_BUGS |
483.3.14 | 8 years ago | Alberto Garcia | Release of siesta-4.0 * Update Docs/release_notes | 2.4 KB |
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siesta.bib |
527.1.33 | 8 years ago | Nick Papior | Updated documentation of the diag part. More flag | 4.3 KB |
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siesta.tex |
569 | 8 years ago | Alberto Garcia | Implementation of Real-Time TDDFT This implementa | 446 KB |
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tbtrans.tex |
560.1.7 | 8 years ago | Nick Papior | Updated tbtrans manual for the next release | 62.9 KB |
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