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ttadano / alamode

Ab initio simulator for thermal transport and lattice anharmonicity
http://sourceforge.net/projects/alamode
MIT License
143 stars 54 forks source link

phonon dispersion curve #223

Closed mestha01 closed 1 month ago

mestha01 commented 1 month ago

I am new user to alamode. Since I wanted to learn, I followed tutorial given for Silicon and plotted phonon dispersion curve. The issue is that I see spikes in the plot and I am not sure of what causing this. It is calculated on 4x4x4 primitive supercell. phonon_bandstructure