From 4c5360f698886b08f374d5752d21cafa9ed314ae Mon Sep 17 00:00:00 2001 From: "Lorenzo Paulatto (naquite)" Date: Mon, 4 Nov 2024 11:15:33 +0100 Subject: [PATCH] fix --- thermal2-manual.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/thermal2-manual.md b/thermal2-manual.md index 47253f8..c0d698d 100644 --- a/thermal2-manual.md +++ b/thermal2-manual.md @@ -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.