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Use what='mur_lc_t' and the option lmurn=.TRUE..
This approach is rigorously valid only for cubic solids, for anisotropic
solid it is an approximation in which only celldm(1) is
changed while the other crystal parameters are kept constant.
For the general case, see the elastic constants as a function of
temperature. This calculation gives also the bulk modulus as a function
of temperature.
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2024-09-24