From d64894d61af2267ddb05d81b4d3c6d7e945f2edd Mon Sep 17 00:00:00 2001
From: jmlloren <jmlloren>
Date: Wed, 24 Nov 2004 14:54:29 +0000
Subject: [PATCH] Se ha cambiado los valores de los parametros. La fuente es I.
 Vurgaftman and J. R. Meyer, JAP 94, 3675.

---
 INP/pwz.inp | 94 ++++++++++++++++++++++++++++++-------------------------------
 1 file changed, 47 insertions(+), 47 deletions(-)
 rewrite INP/pwz.inp (86%)

diff --git a/INP/pwz.inp b/INP/pwz.inp
dissimilarity index 86%
index 34aa208..d84990b 100755
--- a/INP/pwz.inp
+++ b/INP/pwz.inp
@@ -1,47 +1,47 @@
- !  SELF-ASSEMBLED QUANTUM DOTS: Barrier=AlN, Well=GaN 
- !  AXIAL SYMMETRY
- !  STRAIN DISTRIBUTION
- !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
- !!! QD Structure input 
- 5.000             ! Wetting layer thickness (A): DWL
- 1                 ! ISHAPE 1-Trunc. Cone;2-Cap
- 38.0              ! Height of the dot (A): HQD
- 250.E0         ! Base Radius
- 189.E0              ! Top Radius
- !!!  Superlattice Input
- 275.E0,275.E0,86.E0 !Superlattice constants
- 1.E0,0.E0,0.E0      !Superlattice vector a1
- 0.E0,1.E0,0.E0      !Superlattice vector a2
- 0.E0,0.E0,1.E0      !Superlattice vector a3
- 1,1,1               !Number of Dots along X,Y,Z direction (odd)
- !!!  Grid Input
- 0                   !Grid Method: 0->Manual 1->Auto (Unit spercell)
- 0.E0,350.E0        !X_Min,X_Max
- 0.E0,350.E0           !Y_Min,Y_Max
- -80.E0,120.E0       !Z_Min,Z_Max
- 120,1,120            !Number of Points in each direction (odd)
- !!! Material Parameters
- 3                 ! MTYPE: 1-> ZBI, 2-> WZI, 3-> WZA 
- 3.940,0.500,0.016,0.004,0.004     ! W potentials (eV): VWE,VWH,DW1,DW2,DW3
- 6.280,0.000,-0.0585,0.0068,0.0068 ! B potentials (eV): VBE,VBH,DB1,DB2,DB3
- -4.08,-4.08,0.7,2.1     ! Well deformation pot. (eV): C1,C2,D1,D2
- 1.4,-0.7,-0.7,1.4       ! Well deformation pot. (eV): D3,D4,D5,D6
- 396.0,108.0,373.0 ! C11,C13,C33
- 137.0,116.0       ! Lame constants (GaAs): XLAMB=C12, XMU=C44
- -0.024E0          ! Misfit strain: EPSA
- -0.039E0          ! Misfit strain: EPSC
- -0.49,-0.49,0.73  ! Well piezoelectric constants
- -0.081, -0.029    ! Barrier and well spontaneous pol.
- 9.6               ! Barrier Dielectric Constant
- !!! Kind of Calculation
- 0.5 ! CARAC_MAX
- 1   ! STR_Action 0-> Nothing 1-> Caculate 2-> Read
- 0   ! PZO_Action 0-> Nothing 1-> Caculate 2-> Read
- 0   ! POT_Action 0-> Nothing 1-> Caculate 
- 1   ! DIAG_Action 0-> Only Diagonal, 1->Full Hamiltonian
- !!! Output Details
- STR_Ana.nc ! Strain Output File
- PZO_1.nc ! Piezo Output File
- POT_1.nc ! Potential Output File
- 1   ! Cylindrycal or cartesian strain components: 0 -> Cartesian; 1-> Cylindrical
- !!! End of Input
+ !  SELF-ASSEMBLED QUANTUM DOTS: Barrier=AlN, Well=GaN 
+ !  AXIAL SYMMETRY
+ !  STRAIN DISTRIBUTION. Data from Vurgaftman
+ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+ !!! QD Structure input 
+ 5.000                               ! Wetting layer thickness (A): DWL
+ 1                                   ! ISHAPE 1-Trunc. Cone;2-Cap
+ 21.6E0                              ! Height of the dot (A): HQD
+ 90.E0                               ! Base Radius
+ 52.60E0                             ! Top Radius
+ !!!  Superlattice Input
+ 275.E0,275.E0,86.E0                 !Superlattice constants
+ 1.E0,0.E0,0.E0                      !Superlattice vector a1
+ 0.E0,1.E0,0.E0                      !Superlattice vector a2
+ 0.E0,0.E0,1.E0                      !Superlattice vector a3
+ 1,1,1                               !Number of Dots along X,Y,Z direction (odd)
+ !!!  Grid Input
+ 0                                   !Grid Method: 0->Manual 1->Auto (Unit spercell)
+ 0.E0,180.E0                         !X_Min,X_Max
+ 0.E0,350.E0                         !Y_Min,Y_Max
+ -51.E0,65.E0                        !Z_Min,Z_Max
+ 15,1,15                             !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
+ -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
+ 137.0,116.0                         ! Lame constants (GaAs): XLAMB=C12, XMU=C44
+ -0.024E0                            ! Misfit strain: EPSA
+ -0.039E0                            ! Misfit strain: EPSC
+ 0.3255,-0.5274,0.8946               ! Well piezoelectric constants PZE15,PZE31,PZE33
+ -0.090, -0.034                      ! Barrier and well spontaneous pol.
+ 9.6                                 ! Barrier Dielectric Constant
+ !!! Kind of Calculation
+ 0.5                                 ! CARAC_MAX
+ 0                                   ! STR_Action 0-> Nothing 1-> Caculate 2-> Read
+ 2                                   ! PZO_Action 0-> Nothing 1-> Caculate 2-> Read
+ 1                                   ! POT_Action 0-> Nothing 1-> Caculate 
+ 0                                   ! DIAG_Action 0-> Only Diagonal, 1->Full Hamiltonian
+ !!! Output Details
+ STR_BG.nc                           ! Strain Output File
+ PZO_BG.nc                           ! Piezo Output File
+ POT_BG.nc                           ! Potential Output File
+ 0                                   ! Cylindrycal or cartesian strain components: 0 -> Cartesian; 1-> Cylindrical
+ !!! End of Input
-- 
2.11.4.GIT