This is the Linux app named nwhess2freq whose latest release can be downloaded as nwhess2freq.m. It can be run online in the free hosting provider OnWorks for workstations.
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nwhess2freq
DESCRIPTION
This is a simple Octave script which calculates the frequencies/normal modes from an nwchem generated hessian matrix. The advantage of having a separate script for this is that you can use the same hessian to calculate frequencies for different isotopic substitutions i.e. you only have to run one nwchem calculation.
The script is finished in its current form in the sense that it is feature complete. Feel free to amend, translate, copy, steal etc.
See the README in the code repository for instructions.
Installation:
Simply download the file and start Octave in the download directory.
User interface
Console/Terminal
Programming Language
MATLAB
Categories
This is an application that can also be fetched from https://sourceforge.net/projects/nwhess2freq/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.
