Closed sponce24 closed 1 year ago
https://github.com/tdep-developers/tdep-tutorials/blame/4066eecc8abbee11b4eb9d8beb7c42198090595b/01_sampling/example_materials/MgO/README.md#L68
Might be-T 300 instead ?
-T 300
You may want to add phonon_dispersion_relations --dos to the Makefile to be able to plot the convergence DOS at the end.
phonon_dispersion_relations --dos
thanks!
https://github.com/tdep-developers/tdep-tutorials/blame/4066eecc8abbee11b4eb9d8beb7c42198090595b/01_sampling/example_materials/MgO/README.md#L68
Might be
-T 300
instead ?You may want to add
phonon_dispersion_relations --dos
to the Makefile to be able to plot the convergence DOS at the end.