.. _t_experiment: T_EXPERIMENT ============ T_EXPERIMENT is used to :ref:`automatically generate an initial guess for atomic vibrational amplitudes` for the file :ref:`VIBROCC`. It is the temperature of the experiment in Kelvin. T_EXPERIMENT will **never** be used if the :ref:`VIBROCC` file exists and defines a vibrational amplitude for every site. **Default:** No default. Execution cannot proceed if T_EXPERIMENT is not defined *and* a VIBROCC file is missing. **Allowed values:** positive float, temperature in Kelvin **Syntax:** :: T_EXPERIMENT = 293 .. note:: The parameters :ref:`T_DEBYE`, T_EXPERIMENT and :ref:`VIBR_AMP_SCALE` will normally be used only once, to calculate an initial guess for vibrational amplitudes and generate a :ref:`VIBROCC` file. Afterwards, all three parameters will automatically be commented out in the :ref:`PARAMETERS` file; the vibration amplitudes will be defined in the VIBROCC file instead. Even if the parameters were un-commented again, they would never be used as long as a :ref:`VIBROCC` file is present.