! ! Copyright (C) 2003-2004 PWSCF 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 path_formats !--------------------------------------------------------------------------- ! ! ... this module contains the I/O formats used by all "path"-routines ! CHARACTER (LEN=*), PARAMETER :: & lattice_vectors = "(3(2X,F14.10),/,3(2X,F14.10),/,3(2X,F14.10))" ! CHARACTER (LEN=*), PARAMETER :: & restart_first = "(3(2X,F16.12),3(2X,F16.12),3(2X,I1))", & restart_others = "(3(2X,F16.12),3(2X,F16.12))" ! CHARACTER (LEN=*), PARAMETER :: & quick_min = "(9(2X,F16.12))", & energy = "(2X,F18.10)" ! CHARACTER (LEN=*), PARAMETER :: & dat_fmt = "(3(2X,F16.10))", & int_fmt = "(2(2X,F16.10))", & xyz_fmt = "(A2,3(2X,F14.10))", & axsf_fmt = "(A2,6(2X,F14.10))" ! CHARACTER (LEN=*), PARAMETER :: & scf_iter_fmt = "(/,5X,30('-'),(1X,'iteration ',I3,1X),30('-'),/)", & scf_fmt = "(5X,'tcpu = ',F8.1," // & & "'; self-consistency for image ', I3)", & scf_fmt_para = "(5X,'cpu = ',I2,'; tcpu = ',F8.1," // & & "'; self-consistency for image ', I3)", & neb_run_output = "(5X,'image: ',I2,' E tot = ',F16.8," // & & "' eV error = ',F8.4,' eV / A')", & smd_run_output = "(5X,'mode = ',I2,3X,'|ft_pos| = '," // & & "F10.6,3X,'error = ',F8.4,' eV / A')" ! CHARACTER (LEN=*), PARAMETER :: & summary_fmt = "(5X,A,T35,' = ',1X,A)" ! END MODULE path_formats