Input tags
Input tags used by PM from the command line.
Command Line Functionality
Executing core functionality of PM from the command line.
Most key tasks can be performed from the command line, and here we document all such functionality.
Crystal Structure
Most computations require a crystal structure, and PM has a standard yaml file for doing so.
General Utility for crystals
Periodica performs a collection of different tasks for crystals.
Symmetrizing displacements
A key task is to symmetrize the basis such that the vectors transform like irreducible representations.
Products of Irreducible Representations
Perform direct products and symmetric direct products of irreps.
Compute Irreducible Derivative
Describes how to compute irreducible derivatives for a xtal using LID or BID.
Phonon Linewidth and Thermal Conductivity
Using second and third order irreducible derivatives to compute the phonon linewidth and thermal conductivity.
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