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refpot [2017/03/28 14:43]
rohskopf created
refpot [2017/03/28 14:46] (current)
rohskopf
Line 8: Line 8:
 Ge Ge Ge 3 1  [] [] [] [] [] [] [] [] 2.95  0.15 [] [] Ge Ge Ge 3 1  [] [] [] [] [] [] [] [] 2.95  0.15 [] []
 </​code>​ </​code>​
 +
 +where the "​[]"​ brackets designate parameters that are to be fit.
 +
 +-----
 +**__SYMMETRIC PARAMETERS__**
 +
 +It is of use to define symmetries between parameters at times. If you want all of a certain parameter to be the same, use [1] for that set of parameters. Use [2] for the next set of symmetric parameters, etc..
 +
 +An example is shown here:
 +<​code>​
 +Ge Ge Ge 3 1  [1] [2] [3] [4] [] [] [] [] 2.95  0.15 [] []
 +Ge Ge Si 3 1  [1] [2] [-3] [-4] [] [] [] [] 2.95  0.15 [] []
 +</​code>​
 +
 +
 +All the parameters with a number in the "​[]"​ brackets will be treated as a single parameter during fitting.
 +
 +The "​[]"​ brackets with negative numbers will adopt the same magnitude of the parameters in [3] and [4], but with opposite signs. This is useful when fitting charges. ​
 +
refpot.txt ยท Last modified: 2017/03/28 14:46 by rohskopf