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documentation:language_reference:functions:readfplobasisfunctions [2018/09/25 13:41] – created Simon Heinzedocumentation:language_reference:functions:readfplobasisfunctions [2018/10/17 11:31] (current) – Martin Brass
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-alligned paragraph text+ReadFPLOBasisFunctions(orbitals,file1,file2) reads the files specified by file1 and file2 that contain the wavefunctions obtained from the FPLO DFT calculation and returns interpolating functions corresponding to the names given by orbitals.
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 ===== Input ===== ===== Input =====
  
-  * bla : Integer +  * orbitals : list of string 
-  * bla2 : Real+  * file1 : string 
 +  * file2 : string - optional - if given, relativistic wave functions are assumed where the large part is contained in file1 and the small part in file2
  
 ===== Output ===== ===== Output =====
  
-  * bla : real+  * list of InterpolatingFunction : large part of the wavefunctions if file2 is given, otherwise non-relativistic wave functions 
 +  * list of InterpolatingFunction : small part of the wavefunctions if file2 is given, otherwise NULL
  
 ===== Example ===== ===== Example =====
  
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-description text+For non-relativistic wave functions the orbitals are labeled "nl" where n is the principle quantum number and l is the letter corresponding to the angular momentum quantum number. For relativistic wave functions the orbitals are labeled "nlj" where j is the total angular momentum quantum number.
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 ==== Input ==== ==== Input ====
 <code Quanty Example.Quanty> <code Quanty Example.Quanty>
--- some example code+orbs = {"3s","3p","3d","4d"} 
 +f = ReadFPLOBasisFunctions(orbs,"+fval.001.1") 
 + 
 +orbs = {"3d3/2","3d5/2"} 
 +G, F = ReadFPLOBasisFunctions(orbs,"+fval.001.1","+fval.001.2")
 </code> </code>
  
-==== Result ==== 
-<file Quanty_Output> 
-text produced as output 
-</file> 
  
 ===== Table of contents ===== ===== Table of contents =====
 {{indexmenu>.#1}} {{indexmenu>.#1}}
  

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