File:Dimerdiag.tgz: Revision history

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18 November 2014

  • curprev 12:4412:44, 18 November 2014 Rgarcia talk contribs 220 bytes +220 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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