mirror of https://github.com/abinit/abinit.git
124 lines
5.1 KiB
Plaintext
124 lines
5.1 KiB
Plaintext
******************************************************************************************
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Welcome to MULTIBINIT,
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a software platform designed for the construction and use of second-principles models
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for lattice, spin and electron degrees of freedom.
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.Version 9.8.1 of MULTIBINIT
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.(MPI version, prepared for a x86_64_linux_gnu11.3 computer)
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.Copyright (C) 1998-2025 ABINIT group .
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MULTIBINIT comes with ABSOLUTELY NO WARRANTY.
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It is free software, and you are welcome to redistribute it
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under certain conditions (GNU General Public License,
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see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).
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ABINIT is a project of the Universite Catholique de Louvain,
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Corning Inc. and other collaborators, see ~abinit/doc/developers/contributors.txt .
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Please read https://docs.abinit.org/theory/acknowledgments for suggested
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acknowledgments of the ABINIT effort.
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For more information, see https://www.abinit.org .
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MULTIBINIT is a software project of the University of Liege
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(PHYTHEMA & NANOMAT groups), in collaboration with other partners.
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*****************************************************************************************
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.Starting date : Wed 14 Dec 2022.
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- ( at 22h08 )
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- nproc = 1
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================================================================================
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================================================================================
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-outvars_multibinit: echo values of input variables ----------------------
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Flags :
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ifcflag 1
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strcpli -1
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Spin Dynamics :
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spin_calc_thermo_obs 1
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spin_dynamics 2
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spin_temperature 600.00000
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spin_damping 0.10000
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spin_ntime_pre 0
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spin_ntime 1000
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ncell 6 6 6
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spin_dt 1.00000E-16 second
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spin_mag_field 0.00000E+00 0.00000E+00 0.00000E+00 Tesla
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spin_sia_add 0
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spin_sia_k1amp 0.00000E+00
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spin_sia_k1dir 0.00000E+00 0.00000E+00 1.00000E+00
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spin_projection_qpoint 0.00000E+00 0.00000E+00 0.00000E+00
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spin_init_state 2
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spin_var_temperature 0
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spin_temperature_start 0.00000
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spin_temperature_end 0.00000
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spin_temperature_nstep 1
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spin_write_traj 0
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Miscellaneous information :
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asr 2
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Interatomic Force Constants Inputs :
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dipdip 1
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dipdip_range 6 6 6
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ifcana 0
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ifcout 2000000
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Description of grid 1 :
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brav 1
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ngqpt 1 1 1
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nqshft 1
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q1shft
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0.00000000E+00 0.00000000E+00 0.00000000E+00
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First list of wavevector (reduced coord.) :
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nph1l 1
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qph1l
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0.00000000E+00 0.00000000E+00 0.00000000E+00 0.000E+00
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================================================================================
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================================================================================
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reading spin terms.
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Initial spins set to reference configuration.
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================================================================================
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Spin dynamic steps:
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================================================================================
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Iteration time(s) Avg_Mst/Ms ETOT(Ha/uc)
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--------------------------------------------------------------------------------
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Measurement run:
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- 100 9.90000E-15 8.10635E-01 -2.85603E-03
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- 200 1.99000E-14 7.48766E-01 -2.55116E-03
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- 300 2.99000E-14 6.93914E-01 -2.32246E-03
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- 400 3.99000E-14 6.63818E-01 -2.20128E-03
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- 500 4.99000E-14 6.19341E-01 -1.99508E-03
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- 600 5.99000E-14 6.11741E-01 -1.97806E-03
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- 700 6.99000E-14 6.41874E-01 -2.10766E-03
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- 800 7.99000E-14 6.20370E-01 -1.98683E-03
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- 900 8.99000E-14 6.22106E-01 -2.02802E-03
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- 1000 9.99000E-14 6.05986E-01 -1.89627E-03
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--------------------------------------------------------------------------------
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Summary of spin dynamics:
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At the end of the run, the average spin at each sublattice is
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Sublattice <M_i>(x) <M_i>(y) <M_i>(z) ||<M_i>||
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- 0001 0.04192 0.02587 0.60398 0.60599
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# Temperature Cv chi BinderU4 Mst
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600.00000 2.49461E+03 1.05628E+00 0.63903E+00 6.75998E-01
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================================================================================
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================================================================================
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-
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- Proc. 0 individual time (sec): cpu= 0.1 wall= 0.1
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================================================================================
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+Total cpu time 0.125 and wall time 0.125 sec
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multibinit : the run completed succesfully.
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