2003-01-20 05:58:50 +08:00
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!
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! Copyright (C) 2001 PWSCF group
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! This file is distributed under the terms of the
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! GNU General Public License. See the file `License'
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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!
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!-----------------------------------------------------------------------
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2003-02-08 00:04:36 +08:00
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program pwscf
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2003-01-20 05:58:50 +08:00
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!-----------------------------------------------------------------------
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!
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2003-08-30 01:15:25 +08:00
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! Plane Wave Self-Consistent Field
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2003-01-20 05:58:50 +08:00
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!
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2003-02-08 00:04:36 +08:00
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use pwcom
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2003-09-23 22:45:12 +08:00
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use io_files
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2003-08-30 01:15:25 +08:00
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use global_version
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2003-01-20 05:58:50 +08:00
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implicit none
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2003-08-30 01:15:25 +08:00
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character(len=9) :: code = 'PWSCF'
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2003-02-08 00:04:36 +08:00
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external date_and_tim
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2003-01-20 05:58:50 +08:00
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! use ".false." to disable all clocks except the total cpu time clock
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! use ".true." to enable clocks
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! call init_clocks(.false.)
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2003-02-08 00:04:36 +08:00
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call init_clocks (.true.)
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call start_clock ('PWSCF')
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2003-04-11 04:08:14 +08:00
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gamma_only =.false.
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2003-08-30 01:15:25 +08:00
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call startup (nd_nmbr, code, version_number)
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2003-02-08 00:04:36 +08:00
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call init_run
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istep = 0
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do while (istep.lt.nstep)
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istep = istep + 1
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call electrons
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if (.not.conv_elec) call stop_pw (conv_elec)
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call ions
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if (conv_ions) goto 10
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call hinit1
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2003-01-20 05:58:50 +08:00
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enddo
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2003-02-08 00:04:36 +08:00
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10 call punch
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2003-01-20 05:58:50 +08:00
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2003-02-08 00:04:36 +08:00
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call stop_pw (conv_ions)
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stop
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2003-01-20 05:58:50 +08:00
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end program pwscf
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