1.16 How do I calculate the crystal parameters as a function of temperature?

Use what='mur_lc_t'. See example09. Note that for this option you need to give also the ph.x input. For anisotropic solids using lmurn=.TRUE. you calculate the volume as a function of temperature varying celldm(1) but all the other crystal parameters are kept constant, while using lmurn=.FALSE. you can calculate all the crystal parameters as a function of temperature. The crystal parameters are plotted as a function of temperature in the standard range ( T = 1 K - T = 800 K) or in the range requested in input, in the file output_anhar.celldm.ps, a name that can be changed in the THERMO_PW input. By default the temperature dependence for the atomic coordinates is given by the ZSISA approximation, so the present approach is exact for solids in which equilibrium atomic positions are fixed by symmetry and approximated in the other cases. It is also possible to use the full free energy minimization (FFEM) that however requires coding the dependence of the atomic positions on the internal coordinates (see the user guide).