To compute internal coordinates versus temperature, set what='mur _lc_t' and activate the interpolation flag by setting linterpolate_tau =.TRUE.. Before running the calculation, you must identify the internal coordinates for your specific solid. This requires a custom routine that maps atomic positions to internal coordinate vectors (and vice versa). The code currently includes pre-programmed routines for wurtzite and trigonally distorted zincblende structures. You must modify the internal_to_tau routine located in the file set_tau_acc.f90. Assign a unique integer to iconstr_internal (ensure it is not already in use) and set this value in the thermo_control namelist. If your internal vector is multidimensional, define its size using the nint_var variable. The output depends on which thermodynamic approximation you wish to use: ZSISA is default, FFEM is obtained with linternal_thermo = .TRUE..