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A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.

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"--no_q_scale" will not work

The new implementation about "--no_q_scale" (26/04/2017) as showed below group2.add_argument( "--no_q_scale", action = 'store_true', help = "Do not scale normal-mode coordinates fed to Phonopy by sqrt(N_a) (this is required for...

YongliangOu avatar YongliangOu

Update `ModeMap_PolyFit.py` to be compatible with current versions of `matplotlib`

Hi! Thanks for creating such a useful package! The current code `ModeMap` scripts all work with python 3, with current versions of `matplotlib`/`numpy` etc, except for `ModeMap_PolyFit.py` due to a...

kavanase avatar kavanase

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verified publisher icon JMSkelton

Metadata

A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.

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