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fix
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paulatz committed Nov 4, 2024
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Expand Up @@ -215,7 +215,7 @@ After the namelist, the code will look for the keyword QPOINTS and will start re
The type of calculation to perform, currently this can be:

* "freq": Compute the phonon frequencies, this keyword that you specify nq and a QPOINTS section.
* ""dos": Compute both phonon dos and pdos (dos projected on atoms)
* "dos": Compute both phonon dos and pdos (dos projected on atoms).
* "jdos": Compute the joint density of state. You will have to specify the integration grid nk and a configuration in the CONFIGS section (if you specify more, only the first configuration will be used)
* "rms" : Compute the root mean square displacement of the atoms around their equilibrium positions in the harmonic hamiltonian at a give temperature. It requires nk and one single configuration in CONFIG.
* "fh": Compute the phonon free energy or, for T=0, the zero-point energy.
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