Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Last revisionBoth sides next revision
documentation:language_reference:functions:createspectra [2018/07/25 16:14] – minor typo Simon Heinzedocumentation:language_reference:functions:createspectra [2018/09/24 16:36] – Standard -> Default Simon Heinze
Line 15: Line 15:
   * $\psi$ : Wavefunction or a list of Wavefunctions   * $\psi$ : Wavefunction or a list of Wavefunctions
   * Possible options are:   * Possible options are:
-    * "NTri" Positive integer specifying the number of states in the Krylov basis. (Standard value 200) +    * "NTri" Positive integer specifying the number of states in the Krylov basis. (Default value 200) 
-    * "epsilon" Positive real defining the smallest absolute value considered different than zero. (Standard value 1.49E-8)+    * "epsilon" Positive real defining the smallest absolute value considered different than zero. (Default value 1.49E-8)
     * "restrictions" A list of restrictions defining restrictions on configurations and occupations included. Allows one to do restricted active space calculations     * "restrictions" A list of restrictions defining restrictions on configurations and occupations included. Allows one to do restricted active space calculations
-    * "Emin" Real value defining the minimum energy in the spectra (Standard value determined such that the spectrum fits into the range +    * "Emin" Real value defining the minimum energy in the spectra (Default value determined such that the spectrum fits into the range 
-    * "Emax" Real value defining the maximum energy in the spectra (Standard value determined such that the spectrum fits into the range +    * "Emax" Real value defining the maximum energy in the spectra (Default value determined such that the spectrum fits into the range 
-    * "NE" Positive integer defining the number of points in the spectrum. (Standard value 1000) +    * "NE" Positive integer defining the number of points in the spectrum. (Default value 1000) 
-    * "Gamma" Positive real defining the full width half maximum Lorenzian broadening. (Standard value 10*(Emax-Emin)/NE)  +    * "Gamma" Positive real defining the full width half maximum Lorenzian broadening. (Default value 10*(Emax-Emin)/NE)  
-    * "Tensor" Bolean defining if off diagonal elements are calculated or not. (Standard false)+    * "Tensor" Bolean defining if off diagonal elements are calculated or not. (Default false)
  
 ===== Output ===== ===== Output =====
Print/export