====== TightBindingDefFromDresdenFPLO ======

###
The function //TightBindingDefFromDresdenFPLO(FPLOout)// generates a tight-binding object using the output of the FPLO calculation. See also [[documentation:language_reference:functions:filereaddresdenfplo|FileReadDresdenFPLO]] and [[documentation:language_reference:objects:tightbinding:start|tight binding]] object.
###

===== Input =====

  * FPLO output, previously read in using the function //FileReadDresdenFPLO(path_to_out)//

===== Output =====

  * TB: Tight binding object

===== Example =====

###
A simple example of an FPLO calculation and downloading down on NiO:
###

==== Input ====
<code Quanty Example.Quanty>
print("Reading the FPLO output file")
FPLOOut = FileReadDresdenFPLO("DFT/out.wan")

print(FPLOOut)

print("Creating the TB object from FPLOOut")
TB = TightBindingDefFromDresdenFPLO(FPLOOut)

print("HTB.Name:")
print(HTB.Name)
 
print("\nHTB.Cell:")
print(HTB.Cell)
 
print("\nHTB.Atoms:")
print(HTB.Atoms)

print("\nHTB.NAtoms:")
print(HTB.NAtoms)
</code>

==== Result ====
<file Quanty_Output>
Reading the FPLO output file
FPLO input
Creating the TB object from FPLOOut
TB.Name:
NiO

TB.Cell:
{ { 0 , 3.9476378751116 , 3.9476378751116 } , 
  { 3.9476378751116 , 0 , 3.9476378751116 } , 
  { 3.9476378751116 , 3.9476378751116 , 0 } }

TB.Atoms:
{ { Ni , 
  { 0 , 0 , 0 } , 
  { { 3d , 
  { d_{xy} , d_{yz} , d_{3z^2-r^2} , d_{xz} , d_{x^2-y^2} } } } } , 
  { O , 
  { -3.9476378751116 , -3.9476378751116 , -3.9476378751116 } , 
  { { 2p , 
  { p_y , p_z , p_x } } } } }

TB.NAtoms:
2
</file>

===== Table of contents =====
{{indexmenu>.#1}}