File:Dimerdiag.tgz
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Dimerdiag.tgz (file size: 56 KB, MIME type: unknown/unknown)
Warning: This file type may contain malicious code. By executing it, your system may be compromised.
To use with the script "getdimer" It takes the Hessian matrix from an OUTCAR file, symmetrized it, and diagonalizes it without doing the mass-weighting procedure. Source code included. It requires LaPack to be compiled.
File history
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| Date/Time | Dimensions | User | Comment | |
|---|---|---|---|---|
| current | 12:44, 18 November 2014 | (56 KB) | Rgarcia (talk | contribs) | To use with the script "getdimer" It takes the Hessian matrix from an OUTCAR file, symmetrized it, and diagonalizes it without doing the mass-weighting procedure. Source code included. It requires LaPack to be compiled. |
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