! ! Copyright (C) 2002 FPMD group ! This file is distributed under the terms of the ! GNU General Public License. See the file `License' ! in the root directory of the present distribution, ! or http://www.gnu.org/copyleft/gpl.txt . ! !=----------------------------------------------------------------------------=! MODULE grid_dimensions !=----------------------------------------------------------------------------=! ! This module contains the dimensions of the 3D real and reciprocal space ! grid relative to the charde density and potential IMPLICIT NONE SAVE INTEGER :: nr1 = 0 ! global first dimension of the 3D grid INTEGER :: nr2 = 0 ! global second " " INTEGER :: nr3 = 0 ! global third " " INTEGER :: nr1x = 0 ! global leading dimension INTEGER :: nr2x = 0 INTEGER :: nr3x = 0 INTEGER :: nr1l = 0 ! local first dimension INTEGER :: nr2l = 0 ! INTEGER :: nr3l = 0 ! INTEGER :: nnrxl = 0 ! nr1x * nr2x * nr3l INTEGER :: nnrx = 0 ! nr1x * nr2x * nr3 !=----------------------------------------------------------------------------=! END MODULE grid_dimensions !=----------------------------------------------------------------------------=! !=----------------------------------------------------------------------------=! MODULE smooth_grid_dimensions !=----------------------------------------------------------------------------=! ! This module contains the dimensions of the 3D real and reciprocal space ! grid relative to the smooth charge density ( see Vanderbilt Pseudopot ) IMPLICIT NONE SAVE ! parameter description: same as above but for smooth grid INTEGER :: nr1s = 0 INTEGER :: nr2s = 0 INTEGER :: nr3s = 0 INTEGER :: nr1sx = 0 INTEGER :: nr2sx = 0 INTEGER :: nr3sx = 0 INTEGER :: nr1sl = 0 INTEGER :: nr2sl = 0 INTEGER :: nr3sl = 0 INTEGER :: nnrsxl = 0 INTEGER :: nnrsx = 0 !=----------------------------------------------------------------------------=! END MODULE smooth_grid_dimensions !=----------------------------------------------------------------------------=! !=----------------------------------------------------------------------------=! MODULE smallbox_grid_dimensions !=----------------------------------------------------------------------------=! ! This module contains the dimensions of the 3D real and reciprocal space ! sub grid relative to the atomic augmentation charge density ! ( see Vanderbilt Pseudopot ) IMPLICIT NONE SAVE ! parameter description: same as above but for small box grid INTEGER :: nr1b = 0 INTEGER :: nr2b = 0 INTEGER :: nr3b = 0 INTEGER :: nr1bx = 0 INTEGER :: nr2bx = 0 INTEGER :: nr3bx = 0 INTEGER :: nr1bl = 0 INTEGER :: nr2bl = 0 INTEGER :: nr3bl = 0 INTEGER :: nnrbxl = 0 INTEGER :: nnrbx = 0 !=----------------------------------------------------------------------------=! END MODULE smallbox_grid_dimensions !=----------------------------------------------------------------------------=!