Special features of "debye"
You may also want to look at the full parameter list of all the buttons and sliders, or at one of the general help files, Sliders, or
Graphs.
- UPDATING ISSUES
- The dispersion curves (on the left) update whenever a relevant parameter, force constant, mass or lattice constant (B, M, or a), is changed.
- The numerical results displayed in the graphs on the right update in response to changes in these parameters only when calculate is clicked. IF the number of MC steps is displayed in RED, then at least one of the parameters (B, M, or a), or a preset has been changed since the last calculate.
- The Debye model results are updated in response to changes in the Debye velocity of sound vs without need to calculate. If you want to change the lattice constant for the Debye model: change the parameter, click in the v_s box to activate it, and then press the enter key to trigger the update. This will, of course, set MC steps to RED and invalidates the numerical results until an additional calculate.
- Remember, before you double MC steps that this time it will take twice as long as the last time.
- KEY EQUIVALENTS
- calculate = spacebar
- double MC steps = d-key
- DISPLAYS
- Results of the dynamics calculation are always in blue, of the Debye model in red, and experimental data as individual points (black = lead, orange = copper, green = aluminum).
- The neutron data are plotted under the assumption that the correct lattice constant has been chosen. E.g., if the lattice constant is changed, the data for the (100) direction still run from the origin to the X point of the Brillouin zone.
- Statistical noise for the log/log plots at low temperature and/or low frequency gives large gyrations of no significance. Also, the graphing routine plots log of zero as one rather than minus infinity, which at least keeps the point on the screen.
- The ten curves in the internal energy plot are spaced in equal temperature intervals of Tmax/10.
- Changing the number of bins may lead to strange scales in the density of modes and internal energy plots until calculate is done again.