ncpack_pot.f90

   1 MODULE NCPACK_POT
   2          Use typeSizes
   3          Use NETCDF
   4          Use Dot_Geometry, ONLY : Rqd_Base,Rqd_Top,Hqd,ISHAPE
   5          Use Input_Data
   6          Use Auxiliar_Procedures, ONLY : MTYPE, check
   7   IMPLICIT NONE
   8
   9   INTEGER,PRIVATE :: ncFileID, HdVarID, RtVarID, RbVarID, NDots_XVarID, &
  10                      NDots_YVarID,NDots_ZVarID, A1VarID, A2VarID, A3VarID, &
  11                      DWL_VarID, Dim3ID
  12
  13 CONTAINS
  14
  15   SUBROUTINE NCPACK_PT(EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
  16                        ESOUP,ESODW,ELAST)
  17     IMPLICIT NONE
  18
  19     REAL,DIMENSION(:,:,:) ::  EEL,EHHUP,EHHDW,ELHUP,ELHDW,&
  20                               ESOUP,ESODW,ELAST
  21
  22     ! netcdf related variables
  23     integer :: DimXID, DimYID, DimZID,i,  &
  24                DimXVarID, DimYVarID, DimZVarID,&
  25                eelVarID,ehhupVarID,ehhdwVarID,elhupVarID,&
  26                elhdwVarID,esoupvarID,esodwvarID,elastvarID
  27
  28     ! Local variables
  29     character (len = 120) :: fileName
  30
  31     real, dimension(1:XDim,1:ZDim) :: POT_AUX
  32
  33     !-----
  34     ! Initialization
  35     !-----
  36
  37     fileName = POT_Filename
  38
  39
  40     ! --------------------
  41     ! Code begins
  42     ! --------------------
  43     if(.not. byteSizesOK()) then
  44       print *, "Compiler does not appear to support required kinds of variables."
  45       stop
  46     end if
  47
  48     ! Create the file
  49
  50     call open_over(fileName) !Check if a file with the same name exists
  51
  52     call check(nf90_create(path = trim(fileName), cmode = nf90_clobber, ncid = ncFileID))
  53
  54     CALL NCPACK_INPUT_POT( )
  55
  56     ! Define the dimensions
  57     call check(nf90_def_dim(ncid = ncFileID, name = "dimx",     len = XDim,        dimid = DimXID))
  58     IF(KCOOR.EQ.0) &
  59     call check(nf90_def_dim(ncid = ncFileID, name = "dimy",     len = YDim,        dimid = DimYID))
  60     call check(nf90_def_dim(ncid = ncFileID, name = "dimz",     len = ZDim,        dimid = DimZID))
  61
  62     ! Create variables and attributes
  63
  64     ! Box sizes
  65
  66
  67     call check(nf90_def_var(ncFileID, "dimx", nf90_float, dimids = DimXID, varID = DimXVarID) )
  68     call check(nf90_put_att(ncFileID, DimXVarID, "long_name", "Radial dimension"))
  69     call check(nf90_put_att(ncFileID, DimXVarID, "units",     "Angstroms"))
  70
  71     IF (KCOOR.EQ.0) THEN
  72     call check(nf90_def_var(ncFileID, "dimy", nf90_float, dimids = DimYID, varID = DimYVarID) )
  73     call check(nf90_put_att(ncFileID, DimYVarID, "long_name", "Z dimension"))
  74     call check(nf90_put_att(ncFileID, DimYVarID, "units",     "Angstroms"))
  75     END IF
  76
  77     call check(nf90_def_var(ncFileID, "dimz", nf90_float, dimids = DimZID, varID = DimZVarID) )
  78     call check(nf90_put_att(ncFileID, DimZVarID, "long_name", "Z dimension"))
  79     call check(nf90_put_att(ncFileID, DimZVarID, "units",     "Angstroms"))
  80
  81
  82     ! potential grids
  83     SELECT CASE(KCOOR)
  84     CASE(0)
  85        call check(nf90_def_var(ncid = ncFileID, name = "EEL", xtype = nf90_float,     &
  86                           dimids = (/ DimXID, DimYID, DimZID /), varID = eelVarID) )
  87        call check(nf90_put_att(ncFileID, eelVarID, "long_name", "Electron Potential"))
  88
  89        call check(nf90_def_var(ncid = ncFileID, name = "EHHUP", xtype = nf90_float,     &
  90                           dimids = (/ DimXID, DimYID, DimZID /), varID = ehhupVarID) )
  91        call check(nf90_put_att(ncFileID, ehhupVarID, "long_name",  "Heavy Hole UP Potential"))
  92
  93        call check(nf90_def_var(ncid = ncFileID, name = "EHHDW", xtype = nf90_float,     &
  94                           dimids = (/ DimXID, DimYID, DimZID /), varID = ehhdwVarID) )
  95        call check(nf90_put_att(ncFileID, ehhdwVarID, "long_name",   "Heavy Hole DW Potential"))
  96
  97        call check(nf90_def_var(ncid = ncFileID, name = "ELHUP", xtype = nf90_float,     &
  98                           dimids = (/ DimXID, DimYID, DimZID /), varID = elhupVarID) )
  99        call check(nf90_put_att(ncFileID, elhupVarID, "long_name",   "Light Hole UP Potential"))
 100
 101        call check(nf90_def_var(ncid = ncFileID, name = "ELHDW", xtype = nf90_float,     &
 102                           dimids = (/ DimXID, DimYID, DimZID /), varID = elhdwVarID) )
 103        call check(nf90_put_att(ncFileID, elhdwVarID, "long_name",   "Light Hole DW Potential"))
 104
 105        call check(nf90_def_var(ncid = ncFileID, name = "ESOUP", xtype = nf90_float,     &
 106                           dimids = (/ DimXID, DimYID, DimZID /), varID = esoupVarID) )
 107        call check(nf90_put_att(ncFileID, esoupVarID, "long_name",   "Split-off UP Potential"))
 108
 109        call check(nf90_def_var(ncid = ncFileID, name = "ESODW", xtype = nf90_float,     &
 110                           dimids = (/ DimXID, DimYID, DimZID /), varID = esodwVarID) )
 111        call check(nf90_put_att(ncFileID, esodwVarID, "long_name",   "Split-off DW Potential"))
 112
 113        call check(nf90_def_var(ncid = ncFileID, name = "ELAST", xtype = nf90_float,     &
 114                           dimids = (/ DimXID, DimYID, DimZID /), varID = elastVarID) )
 115        call check(nf90_put_att(ncFileID, elastVarID, "long_name",   "Strain Energy"))
 116     CASE(1)
 117        call check(nf90_def_var(ncid = ncFileID, name = "EEL", xtype = nf90_float,     &
 118                           dimids = (/ DimXID, DimZID /), varID = eelVarID) )
 119        call check(nf90_put_att(ncFileID, eelVarID, "long_name", "Electron Potential"))
 120
 121        call check(nf90_def_var(ncid = ncFileID, name = "EHHUP", xtype = nf90_float,     &
 122                           dimids = (/ DimXID, DimZID /), varID = ehhupVarID) )
 123        call check(nf90_put_att(ncFileID, ehhupVarID, "long_name",  "Heavy Hole UP Potential"))
 124
 125        call check(nf90_def_var(ncid = ncFileID, name = "EHHDW", xtype = nf90_float,     &
 126                           dimids = (/ DimXID, DimZID /), varID = ehhdwVarID) )
 127        call check(nf90_put_att(ncFileID, ehhdwVarID, "long_name",   "Heavy Hole DW Potential"))
 128
 129        call check(nf90_def_var(ncid = ncFileID, name = "ELHUP", xtype = nf90_float,     &
 130                           dimids = (/ DimXID, DimZID /), varID = elhupVarID) )
 131        call check(nf90_put_att(ncFileID, elhupVarID, "long_name",   "Light Hole UP Potential"))
 132
 133        call check(nf90_def_var(ncid = ncFileID, name = "ELHDW", xtype = nf90_float,     &
 134                           dimids = (/ DimXID, DimZID /), varID = elhdwVarID) )
 135        call check(nf90_put_att(ncFileID, elhdwVarID, "long_name",   "Light Hole DW Potential"))
 136
 137        call check(nf90_def_var(ncid = ncFileID, name = "ESOUP", xtype = nf90_float,     &
 138                           dimids = (/ DimXID, DimZID /), varID = esoupVarID) )
 139        call check(nf90_put_att(ncFileID, esoupVarID, "long_name",   "Split-off UP Potential"))
 140
 141        call check(nf90_def_var(ncid = ncFileID, name = "ESODW", xtype = nf90_float,     &
 142                           dimids = (/ DimXID, DimZID /), varID = esodwVarID) )
 143        call check(nf90_put_att(ncFileID, esodwVarID, "long_name",   "Split-off DW Potential"))
 144
 145        call check(nf90_def_var(ncid = ncFileID, name = "ELAST", xtype = nf90_float,     &
 146                           dimids = (/ DimXID, DimZID /), varID = elastVarID) )
 147        call check(nf90_put_att(ncFileID, elastVarID, "long_name",   "Strain Energy"))
 148     END SELECT
 149     ! In the C++ interface the define a scalar variable - do we know how to do this?
 150     !call check(nf90_def_var(ncFileID, "ScalarVariable", nf90_real, scalarVarID))
 151
 152     ! Leave define mode
 153     call check(nf90_enddef(ncfileID))
 154
 155     ! Write the dimension variables
 156
 157     call check(nf90_put_var(ncFileID, DimXVarId,     (/(X_Min+REAL(I-1)*X_Inc, i=1,XDim)/)) )
 158     IF(KCOOR.EQ.0) &
 159     call check(nf90_put_var(ncFileID, DimYVarId,     (/(Y_Min+REAL(I-1)*Y_Inc, i=1,YDim)/)) )
 160     call check(nf90_put_var(ncFileID, DimZVarId,     (/(Z_Min+REAL(I-1)*Z_Inc, i=1,ZDim)/)) )
 161
 162
 163     ! Write the Strain distributions
 164
 165     SELECT CASE(KCOOR)
 166     CASE(0)
 167       call check(nf90_put_var(ncFileID, eelVarID, EEL) )
 168       call check(nf90_put_var(ncFileID, ehhupVarID, EHHUP) )
 169       call check(nf90_put_var(ncFileID, ehhdwVarID, EHHDW) )
 170       call check(nf90_put_var(ncFileID, elhupVarID, ELHUP) )
 171       call check(nf90_put_var(ncFileID, elhdwVarID, ELHDW) )
 172       call check(nf90_put_var(ncFileID, esoupVarID, ESOUP) )
 173       call check(nf90_put_var(ncFileID, esodwVarID, ESODW) )
 174       call check(nf90_put_var(ncFileID, elastVarID, ELAST) )
 175     CASE(1)
 176       POT_AUX=EEL(1:XDim,1,1:ZDim)
 177        call check(nf90_put_var(ncFileID, eelVarID, POT_AUX) )
 178       POT_AUX=EHHUP(1:XDim,1,1:ZDim)
 179        call check(nf90_put_var(ncFileID, ehhupVarID, POT_AUX) )
 180       POT_AUX=EHHDW(1:XDim,1,1:ZDim)
 181        call check(nf90_put_var(ncFileID, ehhdwVarID, POT_AUX) )
 182       POT_AUX=ELHUP(1:XDim,1,1:ZDim)
 183        call check(nf90_put_var(ncFileID, elhupVarID, POT_AUX) )
 184       POT_AUX=ELHDW(1:XDim,1,1:ZDim)
 185        call check(nf90_put_var(ncFileID, elhdwVarID, POT_AUX) )
 186       POT_AUX=ESOUP(1:XDim,1,1:ZDim)
 187        call check(nf90_put_var(ncFileID, esoupVarID, POT_AUX) )
 188       POT_AUX=ESODW(1:XDim,1,1:ZDim)
 189        call check(nf90_put_var(ncFileID, esodwVarID, POT_AUX) )
 190       POT_AUX=ELAST(1:XDim,1,1:ZDim)
 191        call check(nf90_put_var(ncFileID, elastVarID, POT_AUX) )
 192     END SELECT
 193
 194     call check(nf90_close(ncFileID))
 195
 196   END SUBROUTINE NCPACK_PT
 197
 198   SUBROUTINE NCPACK_INPUT_POT( )
 199     IMPLICIT NONE
 200
 201     CHARACTER(LEN=200) :: stitle
 202
 203     call check(nf90_def_dim(ncid = ncFileID, name = "vector",   len = 3,           dimid = Dim3ID))
 204
 205     call check(nf90_def_var(ncid = ncFileID, name = "HD", xtype = nf90_float,     &
 206                             varID = HdVarID) )
 207     call check(nf90_put_att(ncFileID, HdVarID, "long_name",   "Dot Height (Angstroms)"))
 208
 209     call check(nf90_def_var(ncid = ncFileID, name = "RT", xtype = nf90_float,     &
 210                             varID = RtVarID) )
 211     call check(nf90_put_att(ncFileID, RtVarID, "long_name",   "Top Dot Radius (Angstroms)"))
 212
 213     call check(nf90_def_var(ncid = ncFileID, name = "RB", xtype = nf90_float,     &
 214                             varID = RbVarID ) )
 215     call check(nf90_put_att(ncFileID, RbVarID, "long_name",   "Base Dot Radius (Angstroms)"))
 216
 217     call check(nf90_def_var(ncid = ncFileID, name = "ND_X", xtype = nf90_int,     &
 218                             varID = NDots_XVarID ) )
 219     call check(nf90_put_att(ncFileID, NDots_XVarID, "long_name",   "Number of Dots along X-axis"))
 220
 221     call check(nf90_def_var(ncid = ncFileID, name = "ND_Y", xtype = nf90_int,     &
 222                             varID = NDots_YVarID ) )
 223     call check(nf90_put_att(ncFileID, NDots_YVarID, "long_name",   "Number of Dots along Y-axis"))
 224
 225     call check(nf90_def_var(ncid = ncFileID, name = "ND_Z", xtype = nf90_int,     &
 226                             varID = NDots_ZVarID ) )
 227     call check(nf90_put_att(ncFileID, NDots_ZVarID, "long_name",   "Number of Dots along Z-axis"))
 228
 229     call check(nf90_def_var(ncFileID, "A1", nf90_float, dimids = Dim3ID, varID = A1VarID) )
 230     call check(nf90_put_att(ncFileID, A1VarID, "long_name", "Vector A1 Superlattice"))
 231     call check(nf90_put_att(ncFileID, A1VarID, "units",     "Angstroms"))
 232
 233     call check(nf90_def_var(ncFileID, "A2", nf90_float, dimids = Dim3ID, varID = A2VarID) )
 234     call check(nf90_put_att(ncFileID, A2VarID, "long_name", "Vector A2 Superlattice"))
 235     call check(nf90_put_att(ncFileID, A2VarID, "units",     "Angstroms"))
 236
 237     call check(nf90_def_var(ncFileID, "A3", nf90_float, dimids = Dim3ID, varID = A3VarID) )
 238     call check(nf90_put_att(ncFileID, A3VarID, "long_name", "Vector A3 Superlattice"))
 239     call check(nf90_put_att(ncFileID, A3VarID, "units",     "Angstroms"))
 240
 241     call check(nf90_def_var(ncFileID, "DWL", nf90_float, varID = DWL_VarID))
 242
 243     SELECT CASE(ISHAPE)
 244       CASE(1)
 245         stitle="Shape: Truncated Cone. "
 246       CASE(2)
 247         stitle="Shape: Cap. "
 248     END SELECT
 249
 250     SELECT CASE(MTYPE)
 251       CASE DEFAULT !! Anisotropic Wurtzite
 252         stitle="Material Type: Anisotropic Wurtzite. "//stitle
 253     END SELECT
 254
 255     ! Global attributes
 256     call check(nf90_put_att(ncFileID, nf90_global, "history", &
 257                        "NetCDF file"))
 258     stitle="Confinement Potential. "//stitle
 259
 260     call check(nf90_put_att(ncFileID, nf90_global, "title", TRIM(stitle)))
 261
 262     call check(nf90_enddef(ncfileID))
 263
 264     call check(nf90_put_var(ncFileID, RbVarId, Rqd_Base ) )
 265     call check(nf90_put_var(ncFileID, RtVarId, Rqd_Top ) )
 266     call check(nf90_put_var(ncFileID, HdVarId, Hqd ) )
 267     call check(nf90_put_var(ncFileID, DWL_VarId, D*ZC ) )
 268     call check(nf90_put_var(ncFileID, NDots_XVarId, NMax_X-NMin_X+1 ) )
 269     call check(nf90_put_var(ncFileID, NDots_YVarId, NMax_Y-NMin_Y+1 ) )
 270     call check(nf90_put_var(ncFileID, NDots_ZVarId, NMax_Z-NMin_Z+1 ) )
 271     call check(nf90_put_var(ncFileID, A1VarId, A1_S ) )
 272     call check(nf90_put_var(ncFileID, A2VarId, A2_S ) )
 273     call check(nf90_put_var(ncFileID, A3VarId, A3_S ) )
 274
 275
 276     call check(nf90_redef(ncfileID))
 277
 278     RETURN
 279
 280   END SUBROUTINE NCPACK_INPUT_POT
 281
 282 END MODULE NCPACK_POT
 283