! ! Copyright (C) 2015-2017 M. Govoni ! 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 . ! ! This file is part of WEST. ! ! Contributors to this file: ! Marco Govoni ! !----------------------------------------------------------------------- PROGRAM wstat !----------------------------------------------------------------------- ! ! This is the main program that calculates the static screening. ! USE check_stop, ONLY : check_stop_init USE mp_global, ONLY : mp_startup, mp_global_end USE west_environment, ONLY : west_environment_start, west_environment_end USE mp, ONLY : mp_sum,mp_barrier USE wavefunctions_module, ONLY : evc USE function3d USE pwcom, ONLY : npw,npwx ! IMPLICIT NONE ! INTEGER :: nx, ny, nz CHARACTER(LEN=9) :: code = 'WSTAT' ! ! *** START *** ! CALL check_stop_init () ! ! Initialize MPI, clocks, print initial messages ! #if defined(__MPI) CALL mp_startup ( start_images = .TRUE. ) #endif ! CALL west_environment_start ( code ) ! CALL wstat_readin ( ) ! CALL wstat_setup ( ) ! !PRINT*, SHAPE(evc) !PRINT*, npw, npwx PRINT*, evc(1:100, 3) ! CALL write_function3d( 'wfcl.f3d', 30, 30, 30, npw, npwx, evc(:, 3)) PRINT*, "WRITE FINISHED" ! CALL read_function3d ( 'wfcl.f3d', nx, ny, nz, npw, npwx, evc(:, 3)) PRINT*, "READ FINISHED" PRINT*, nx, ny, nz PRINT*, evc(1:100, 3) ! STOP ! CALL davidson_diago ( ) ! CALL exx_ungo ( ) ! CALL clean_scratchfiles( ) ! CALL west_print_clocks( ) ! CALL west_environment_end( code ) ! CALL mp_global_end() ! END PROGRAM