Differences

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--- exercises:2018_uzh_cmest:phonon_calculation [2018/09/17 12:52] – external edit 127.0.0.1
+++ exercises:2018_uzh_cmest:phonon_calculation [2020/08/21 10:15] (current) – external edit 127.0.0.1
@@ Line 7: / Line 7: @@
 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 following, which will download the package and its requirements:
 <code bash>
-pip install --user https://github.com/atztogo/phonopy/archive/develop.zip
+pip install --user phonopy
 # plus some tools required to handle CP2K input files:
 pip install --user cp2k_tools
@@ Line 21: / Line 21: @@
 </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>
-studentXY@tcopt3 ~ $ phonopy --help
+studentXY@tcopt2 ~ $ phonopy --help
 Usage: phonopy [options]