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--- documentation:language_reference:functions:calculaterho [2018/06/21 15:14] – created Simon Heinze
+++ documentation:language_reference:functions:calculaterho [2024/09/13 11:36] (current) – Micheangelo Tagliavini
@@ Line 2: / Line 2: @@
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-alligned paragraph text
+//CalculateRho( $H$ )// computes the density matrix for a given Tight Binding model.
 ###
 ===== Input =====
-  * bla : Integer
+  *  $H$  : Tight Binding Object
-  * bla2 : Real
+  * Possible options are:
+    * "Nk" List of integers the format {N $_x$ ,N $_y$ ,N $_z$ } giving the number of Crystal momentum states used to solve the model. If the reciprocal lattice is zero, then Nk is always set to {0,0,0}, independent of the option given (Standard value {40,40,40})
+    * "mu" Real number giving the chemical potential  $\mu$ . (Standard value 0)
+    * "kbT" or "kBT" Positive real number indicating the value of  $\beta=k_BT$  for the calculation. (Standard value DBL_EPSILON)
 ===== Output =====
-  * bla : real
+  *  $\rho$  : Matrix object with size N $_x$ *N $_y$ *N $_z$ *N $_{orbs}$ , where N $_{orbs}$  is the number of defined orbitals per unit cell in the Tight Binding input.
 ===== Example =====