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exercises:2018_uzh_cmest:phonon_calculation [2018/10/29 14:54] – [Installation] abussyexercises:2018_uzh_cmest:phonon_calculation [2020/08/21 10:15] (current) – external edit 127.0.0.1
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 While some solid state code packages (like [[http://www.quantum-espresso.org/|Quantum Espresso]]) contain functionality to calculate phonon spectra, CP2K does not. Using the [[http://atztogo.github.io/phonopy/|Phonopy]] package it is nevertheless possible to calculate them using the Finite Displacement Method (FDM) with CP2K as the backend to calculate the forces. While some solid state code packages (like [[http://www.quantum-espresso.org/|Quantum Espresso]]) contain functionality to calculate phonon spectra, CP2K does not. Using the [[http://atztogo.github.io/phonopy/|Phonopy]] package it is nevertheless possible to calculate them using the Finite Displacement Method (FDM) with CP2K as the backend to calculate the forces.
  
-Since the support for CP2K in Phonopy was added very recently and no new version of Phonopy was released yet, you have to install it in your home-directory on the server from a snapshot of the source code repository using the following command which will download the package and its requirements:+You can install Phonopy in your home-directory on the server by running the followingwhich will download the package and its requirements:
  
 <code bash> <code bash>
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 </code> </code>
  
-Now you should be able to run ''phonopy --help'' as follows and get some help text:+Now you should be able to run ''phonopy %%-%%-help'' as follows and get some help text:
  
 <code> <code>
-studentXY@tcopt3 ~ $ phonopy --help+studentXY@tcopt2 ~ $ phonopy --help
 Usage: phonopy [options] Usage: phonopy [options]
  
exercises/2018_uzh_cmest/phonon_calculation.1540824865.txt.gz · Last modified: 2020/08/21 10:14 (external edit)