# Differences

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 documentation:language_reference:functions:createspectra [2018/07/25 16:14]Simon Heinze minor typo documentation:language_reference:functions:createspectra [2018/09/24 16:36] (current)Simon Heinze Standard -> Default Both sides previous revision Previous revision 2018/09/24 16:36 Simon Heinze Standard -> Default2018/07/25 16:14 Simon Heinze minor typo2017/03/08 18:23 Maurits W. Haverkort 2017/03/01 14:40 Maurits W. Haverkort 2016/10/10 09:41 external edit2016/10/09 22:04 Maurits W. Haverkort created 2018/09/24 16:36 Simon Heinze Standard -> Default2018/07/25 16:14 Simon Heinze minor typo2017/03/08 18:23 Maurits W. Haverkort 2017/03/01 14:40 Maurits W. Haverkort 2016/10/10 09:41 external edit2016/10/09 22:04 Maurits W. Haverkort created 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 =====