From e53c4ff5d32708360138a716c35f38c284165c4c Mon Sep 17 00:00:00 2001
From: jmlloren <jmlloren>
Date: Tue, 26 Apr 2005 18:01:33 +0000
Subject: [PATCH] Cambio del input para introducir el gap y el valence band
 offset. Ademas incluimos KPBASIS para el calculo con la base de winkler o de
 chuang.

---
 INP/pwz.inp | 22 ++++++++++++----------
 1 file changed, 12 insertions(+), 10 deletions(-)

diff --git a/INP/pwz.inp b/INP/pwz.inp
index a24bb2e..01d3619 100755
--- a/INP/pwz.inp
+++ b/INP/pwz.inp
@@ -3,11 +3,11 @@
  !  STRAIN DISTRIBUTION. Data from Vurgaftman
  !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
  !!! QD Structure input 
- 0.000                               ! Wetting layer thickness (A): DWL
+ 5.000                               ! Wetting layer thickness (A): DWL
  1                                   ! ISHAPE 1-Trunc. Cone;2-Cap
  21.6E0                              ! Height of the dot (A): HQD
- 90.E3                               ! Base Radius
- 52.60E3                             ! Top Radius
+ 66.E0                               ! Base Radius
+ 66.E0                             ! Top Radius
  !!!  Superlattice Input
  275.E0,275.E0,86.E0                 !Superlattice constants
  1.E0,0.E0,0.E0                      !Superlattice vector a1
@@ -19,11 +19,12 @@
  0.E0,180.E0                         !X_Min,X_Max
  0.E0,350.E0                         !Y_Min,Y_Max
  -41.E0,51.E0                        !Z_Min,Z_Max
- 1,1,75                             !Number of Points in each direction (odd)
+ 51,1,51                             !Number of Points in each direction (odd)
  !!! Material Parameters
  3                                   ! MTYPE: 1-> ZBI, 2-> WZI, 3-> WZA 
- 4.010,0.500,0.010,0.0056,0.0056     ! W potentials (eV): VWE,VWH,DW1,DW2,DW3
- 6.250,0.000,-0.169,0.0063,0.0063    ! B potentials (eV): VBE,VBH,DB1,DB2,DB3
+ 3.51,0.010,0.0056,0.0056            ! W potentials (eV): EGW,DW1,DW2,DW3
+ 6.25,-0.169,0.0063,0.0063           ! B potentials (eV): EGB,DB1,DB2,DB3
+ 0.5                                 ! Valence Band offset
  -4.9,-11.3,-3.7,4.5                 ! Well deformation pot. (eV): C1,C2,D1,D2
  8.2,-4.1,-4.0,-5.5                  ! Well deformation pot. (eV): D3,D4,D5,D6
  396.0,108.0,373.0                   ! C11,C13,C33
@@ -36,12 +37,13 @@
  !!! Kind of Calculation
  0.5                                 ! CARAC_MAX
  0                                   ! STR_Action 0-> Nothing 1-> Caculate 2-> Read
- 1                                   ! DPL_Action 0-> Nothing 1-> Caculate
+ 0                                   ! DPL_Action 0-> Nothing 1-> Caculate
  0                                   ! PZO_Action 0-> Nothing 1-> Caculate 2-> Read
- 0                                   ! POT_Action 0-> Nothing 1-> Caculate 
- 0                                   ! DIAG_Action 0-> Only Diagonal, 1->Full Hamiltonian
+ 1                                   ! POT_Action 0-> Nothing 1-> Caculate 
+ 1                                   ! DIAG_Action 0-> Only Diagonal, 1->Full Hamiltonian
+ 1                                   ! KPBASIS FOR WZ: 0-> Winkler, 1-> Chuang
  !!! Output Details
- STR_BG.nc                           ! Strain Output File
+ STR_WL.nc                           ! Strain Output File
  DPL_QW.nc                           ! Displacement Output File
  PZO_BG.nc                           ! Piezo Output File
  POT_BG.nc                           ! Potential Output File
-- 
2.11.4.GIT