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documentation:language_reference:functions:calculateg [2024/11/14 17:13] – Aleksandrs Zacinskisdocumentation:language_reference:functions:calculateg [2024/12/31 14:23] (current) – Maurits W. Haverkort
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-Warning! Page is under development. 
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 Function //CalculateG(HTB, Options)// calculates single-particle Green's function from a given Tight-Binding Object //HTB//. Function //CalculateG(HTB, Options)// calculates single-particle Green's function from a given Tight-Binding Object //HTB//.
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 ===== Output ===== ===== Output =====
  
-  * G : Response Function in the Block List of Poles representation $\{\{A_0, a_1, a_2,\dots,a_n\},\{ B_1,B_2, \dots, B_n \}, $ type="ListOfPoles" $\dots \}$, which corresponds to +  * G : Response Function in the Block List of Poles (If not chosen otherwise) representation $\{\{A_0, a_1, a_2,\dots,a_n\},\{ B_1,B_2, \dots, B_n \}, $ type="ListOfPoles" $\dots \}$, which corresponds to 
 $$G(\omega) = A_0 + \sum_{k} \frac{B_k}{\omega-a_k+i\gamma/2}$$ $$G(\omega) = A_0 + \sum_{k} \frac{B_k}{\omega-a_k+i\gamma/2}$$
-where $a_1,\dots,a_n$ are reals, and $A_0,B_1,\dots, B_n$ are matrices of dimensions $N_O \times N_O $, where $N_O$ is the number of orbitals in //HTB.Atoms//.+where $a_1,\dots,a_n$ are real numbers, and $A_0,B_1,\dots, B_n$ are matrices of dimensions $N_O \times N_O $, where $N_O$ is the number of orbitals in //HTB.Atoms//.
 ===== Example ===== ===== Example =====
  
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 ==== Result ==== ==== Result ====
 Diagonal Elements of the plots below show Partial DOS of Cu,O1,O2.  Diagonal Elements of the plots below show Partial DOS of Cu,O1,O2. 
-{{ :documentation:language_reference:functions:pes_ij.png?1250 |}}+{{ :documentation:language_reference:functions:pes_ij.png?800 |}} 
  
 ==== Used functions ==== ==== Used functions ====

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