Pdielec

Latest version: v8.1.0

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6.1

Sees the release of new Mie routines which allow a more robust treatment of anisotropic crystals. A few other issues have also been addressed. The mass and volume fractions can be edited more easily. The spreadsheet is now written out at the end of the calculation (on exiting the program). There are several changes to the fitter tab. All the options are now in their own settings tab, which gives more space for listing the frequencies. A new fitting algorithm has been provided, which minimises the root means squared error between the experimental and calculated spectra.

6.0.1

Is a minor bug-fix release to Version v6.0.

6.0

Adds the ability to alter the Lorentzian widths of the phonon transitions and compare the results interactively with an experimental spectrum.

5.0.0

Removed the command line interface
Added ATR functionality

4.0.1

Modified preader to work in parallel under Windows
Changed the complex optical dielectric to real if the imaginary components are 0
Changed the README to give much better information about Windows 10 installations
Modified the shebang on the preader and pdielec commands so that Windows recognises them
Modified the checkcsv command so that it ignores the number of processors

4.0.0

Mie scattering
Excel spread sheet writing completed
Added an 'experiment' program for testing parts of the code without having to do an abinitio calculation.

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