mirror of https://github.com/abinit/abinit.git
316 lines
18 KiB
Plaintext
316 lines
18 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 21h25 )
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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 0.00000
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spin_damping -1.00000
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spin_ntime_pre 100000
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spin_ntime 100000
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ncell 4 1 1
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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 1
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spin_sia_k1amp 3.67493E-06
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spin_sia_k1dir 1.00000E+00 0.00000E+00 0.00000E+00
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spin_projection_qpoint 0.00000E+00 0.00000E+00 0.00000E+00
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spin_init_state 1
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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 4 1 1
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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 random values.
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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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Thermalization run:
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- 1000 9.99000E-14 6.39904E-01 -6.22624E-04
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- 2000 1.99900E-13 9.91942E-01 -7.83222E-04
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- 3000 2.99900E-13 9.99977E-01 -7.89599E-04
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- 4000 3.99900E-13 1.00000E+00 -7.90063E-04
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- 5000 4.99900E-13 1.00000E+00 -7.90293E-04
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- 6000 5.99900E-13 1.00000E+00 -7.90435E-04
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- 7000 6.99900E-13 1.00000E+00 -7.90538E-04
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- 8000 7.99900E-13 1.00000E+00 -7.90622E-04
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- 9000 8.99900E-13 1.00000E+00 -7.90694E-04
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- 10000 9.99900E-13 1.00000E+00 -7.90759E-04
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- 11000 1.09990E-12 1.00000E+00 -7.90817E-04
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- 12000 1.19990E-12 1.00000E+00 -7.90870E-04
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- 13000 1.29990E-12 1.00000E+00 -7.90917E-04
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- 14000 1.39990E-12 1.00000E+00 -7.90960E-04
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- 15000 1.49990E-12 1.00000E+00 -7.90999E-04
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- 16000 1.59990E-12 1.00000E+00 -7.91035E-04
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- 17000 1.69990E-12 1.00000E+00 -7.91066E-04
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- 18000 1.79990E-12 1.00000E+00 -7.91095E-04
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- 19000 1.89990E-12 1.00000E+00 -7.91121E-04
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- 20000 1.99990E-12 1.00000E+00 -7.91144E-04
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- 21000 2.09990E-12 1.00000E+00 -7.91165E-04
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- 22000 2.19990E-12 1.00000E+00 -7.91183E-04
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- 23000 2.29990E-12 1.00000E+00 -7.91200E-04
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- 24000 2.39990E-12 1.00000E+00 -7.91215E-04
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- 25000 2.49990E-12 1.00000E+00 -7.91229E-04
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- 26000 2.59990E-12 1.00000E+00 -7.91241E-04
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- 27000 2.69990E-12 1.00000E+00 -7.91252E-04
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- 28000 2.79990E-12 1.00000E+00 -7.91261E-04
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- 29000 2.89990E-12 1.00000E+00 -7.91270E-04
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- 30000 2.99990E-12 1.00000E+00 -7.91278E-04
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- 31000 3.09990E-12 1.00000E+00 -7.91285E-04
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- 32000 3.19990E-12 1.00000E+00 -7.91291E-04
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- 33000 3.29990E-12 1.00000E+00 -7.91297E-04
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- 34000 3.39990E-12 1.00000E+00 -7.91301E-04
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- 35000 3.49990E-12 1.00000E+00 -7.91306E-04
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- 36000 3.59990E-12 1.00000E+00 -7.91310E-04
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- 37000 3.69990E-12 1.00000E+00 -7.91313E-04
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- 38000 3.79990E-12 1.00000E+00 -7.91317E-04
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- 39000 3.89990E-12 1.00000E+00 -7.91319E-04
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- 40000 3.99990E-12 1.00000E+00 -7.91322E-04
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- 41000 4.09990E-12 1.00000E+00 -7.91324E-04
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- 42000 4.19990E-12 1.00000E+00 -7.91326E-04
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- 43000 4.29990E-12 1.00000E+00 -7.91328E-04
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- 44000 4.39990E-12 1.00000E+00 -7.91330E-04
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- 45000 4.49990E-12 1.00000E+00 -7.91331E-04
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- 46000 4.59990E-12 1.00000E+00 -7.91332E-04
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- 47000 4.69990E-12 1.00000E+00 -7.91333E-04
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- 48000 4.79990E-12 1.00000E+00 -7.91335E-04
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- 49000 4.89990E-12 1.00000E+00 -7.91335E-04
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- 50000 4.99990E-12 1.00000E+00 -7.91336E-04
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- 51000 5.09990E-12 1.00000E+00 -7.91337E-04
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- 52000 5.19990E-12 1.00000E+00 -7.91338E-04
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- 53000 5.29990E-12 1.00000E+00 -7.91338E-04
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- 54000 5.39990E-12 1.00000E+00 -7.91339E-04
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- 55000 5.49990E-12 1.00000E+00 -7.91339E-04
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- 56000 5.59990E-12 1.00000E+00 -7.91340E-04
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- 57000 5.69990E-12 1.00000E+00 -7.91340E-04
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- 58000 5.79990E-12 1.00000E+00 -7.91340E-04
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- 59000 5.89990E-12 1.00000E+00 -7.91341E-04
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- 60000 5.99990E-12 1.00000E+00 -7.91341E-04
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- 61000 6.09990E-12 1.00000E+00 -7.91341E-04
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- 62000 6.19990E-12 1.00000E+00 -7.91341E-04
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- 63000 6.29990E-12 1.00000E+00 -7.91341E-04
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- 64000 6.39990E-12 1.00000E+00 -7.91342E-04
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- 65000 6.49990E-12 1.00000E+00 -7.91342E-04
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- 66000 6.59990E-12 1.00000E+00 -7.91342E-04
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- 67000 6.69990E-12 1.00000E+00 -7.91342E-04
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- 68000 6.79990E-12 1.00000E+00 -7.91342E-04
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- 69000 6.89990E-12 1.00000E+00 -7.91342E-04
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- 70000 6.99990E-12 1.00000E+00 -7.91342E-04
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- 71000 7.09990E-12 1.00000E+00 -7.91342E-04
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- 72000 7.19990E-12 1.00000E+00 -7.91342E-04
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- 73000 7.29990E-12 1.00000E+00 -7.91343E-04
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- 74000 7.39990E-12 1.00000E+00 -7.91343E-04
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- 75000 7.49990E-12 1.00000E+00 -7.91343E-04
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- 76000 7.59990E-12 1.00000E+00 -7.91343E-04
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- 77000 7.69990E-12 1.00000E+00 -7.91343E-04
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- 78000 7.79990E-12 1.00000E+00 -7.91343E-04
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- 79000 7.89990E-12 1.00000E+00 -7.91343E-04
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- 80000 7.99990E-12 1.00000E+00 -7.91343E-04
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- 81000 8.09990E-12 1.00000E+00 -7.91343E-04
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- 82000 8.19990E-12 1.00000E+00 -7.91343E-04
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- 83000 8.29990E-12 1.00000E+00 -7.91343E-04
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- 84000 8.39990E-12 1.00000E+00 -7.91343E-04
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- 85000 8.49990E-12 1.00000E+00 -7.91343E-04
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- 86000 8.59990E-12 1.00000E+00 -7.91343E-04
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- 87000 8.69990E-12 1.00000E+00 -7.91343E-04
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- 88000 8.79990E-12 1.00000E+00 -7.91343E-04
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- 89000 8.89990E-12 1.00000E+00 -7.91343E-04
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- 90000 8.99990E-12 1.00000E+00 -7.91343E-04
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- 91000 9.09990E-12 1.00000E+00 -7.91343E-04
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- 92000 9.19990E-12 1.00000E+00 -7.91343E-04
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- 93000 9.29990E-12 1.00000E+00 -7.91343E-04
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- 94000 9.39990E-12 1.00000E+00 -7.91343E-04
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- 95000 9.49990E-12 1.00000E+00 -7.91343E-04
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- 96000 9.59990E-12 1.00000E+00 -7.91343E-04
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- 97000 9.69990E-12 1.00000E+00 -7.91343E-04
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- 98000 9.79990E-12 1.00000E+00 -7.91343E-04
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- 99000 9.89990E-12 1.00000E+00 -7.91343E-04
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- 100000 9.99990E-12 1.00000E+00 -7.91343E-04
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Measurement run:
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- 1000 9.99000E-14 1.00000E+00 -7.91343E-04
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- 2000 1.99900E-13 1.00000E+00 -7.91343E-04
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- 3000 2.99900E-13 1.00000E+00 -7.91343E-04
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- 4000 3.99900E-13 1.00000E+00 -7.91343E-04
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- 5000 4.99900E-13 1.00000E+00 -7.91343E-04
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- 6000 5.99900E-13 1.00000E+00 -7.91343E-04
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- 7000 6.99900E-13 1.00000E+00 -7.91343E-04
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- 8000 7.99900E-13 1.00000E+00 -7.91343E-04
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- 9000 8.99900E-13 1.00000E+00 -7.91343E-04
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- 10000 9.99900E-13 1.00000E+00 -7.91343E-04
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- 11000 1.09990E-12 1.00000E+00 -7.91343E-04
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- 12000 1.19990E-12 1.00000E+00 -7.91343E-04
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- 13000 1.29990E-12 1.00000E+00 -7.91343E-04
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- 14000 1.39990E-12 1.00000E+00 -7.91343E-04
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- 15000 1.49990E-12 1.00000E+00 -7.91343E-04
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- 16000 1.59990E-12 1.00000E+00 -7.91343E-04
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- 17000 1.69990E-12 1.00000E+00 -7.91343E-04
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- 18000 1.79990E-12 1.00000E+00 -7.91343E-04
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- 19000 1.89990E-12 1.00000E+00 -7.91343E-04
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- 20000 1.99990E-12 1.00000E+00 -7.91343E-04
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- 21000 2.09990E-12 1.00000E+00 -7.91343E-04
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- 22000 2.19990E-12 1.00000E+00 -7.91343E-04
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- 23000 2.29990E-12 1.00000E+00 -7.91343E-04
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- 24000 2.39990E-12 1.00000E+00 -7.91343E-04
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- 25000 2.49990E-12 1.00000E+00 -7.91343E-04
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- 26000 2.59990E-12 1.00000E+00 -7.91343E-04
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- 27000 2.69990E-12 1.00000E+00 -7.91343E-04
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- 28000 2.79990E-12 1.00000E+00 -7.91343E-04
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- 29000 2.89990E-12 1.00000E+00 -7.91343E-04
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- 30000 2.99990E-12 1.00000E+00 -7.91343E-04
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- 31000 3.09990E-12 1.00000E+00 -7.91343E-04
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- 32000 3.19990E-12 1.00000E+00 -7.91343E-04
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- 33000 3.29990E-12 1.00000E+00 -7.91343E-04
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- 34000 3.39990E-12 1.00000E+00 -7.91343E-04
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- 35000 3.49990E-12 1.00000E+00 -7.91343E-04
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- 36000 3.59990E-12 1.00000E+00 -7.91343E-04
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- 37000 3.69990E-12 1.00000E+00 -7.91343E-04
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- 38000 3.79990E-12 1.00000E+00 -7.91343E-04
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- 39000 3.89990E-12 1.00000E+00 -7.91343E-04
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- 40000 3.99990E-12 1.00000E+00 -7.91343E-04
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- 41000 4.09990E-12 1.00000E+00 -7.91343E-04
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- 42000 4.19990E-12 1.00000E+00 -7.91343E-04
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- 43000 4.29990E-12 1.00000E+00 -7.91343E-04
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- 44000 4.39990E-12 1.00000E+00 -7.91343E-04
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- 45000 4.49990E-12 1.00000E+00 -7.91343E-04
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- 46000 4.59990E-12 1.00000E+00 -7.91343E-04
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- 47000 4.69990E-12 1.00000E+00 -7.91343E-04
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- 48000 4.79990E-12 1.00000E+00 -7.91343E-04
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- 49000 4.89990E-12 1.00000E+00 -7.91343E-04
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- 50000 4.99990E-12 1.00000E+00 -7.91343E-04
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- 51000 5.09990E-12 1.00000E+00 -7.91343E-04
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- 52000 5.19990E-12 1.00000E+00 -7.91343E-04
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- 53000 5.29990E-12 1.00000E+00 -7.91343E-04
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- 54000 5.39990E-12 1.00000E+00 -7.91343E-04
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- 55000 5.49990E-12 1.00000E+00 -7.91343E-04
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- 56000 5.59990E-12 1.00000E+00 -7.91343E-04
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- 57000 5.69990E-12 1.00000E+00 -7.91343E-04
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- 58000 5.79990E-12 1.00000E+00 -7.91343E-04
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- 59000 5.89990E-12 1.00000E+00 -7.91343E-04
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- 60000 5.99990E-12 1.00000E+00 -7.91343E-04
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- 61000 6.09990E-12 1.00000E+00 -7.91343E-04
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- 62000 6.19990E-12 1.00000E+00 -7.91343E-04
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- 63000 6.29990E-12 1.00000E+00 -7.91343E-04
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- 64000 6.39990E-12 1.00000E+00 -7.91343E-04
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- 65000 6.49990E-12 1.00000E+00 -7.91343E-04
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- 66000 6.59990E-12 1.00000E+00 -7.91343E-04
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- 67000 6.69990E-12 1.00000E+00 -7.91343E-04
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- 68000 6.79990E-12 1.00000E+00 -7.91343E-04
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- 69000 6.89990E-12 1.00000E+00 -7.91343E-04
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- 70000 6.99990E-12 1.00000E+00 -7.91343E-04
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- 71000 7.09990E-12 1.00000E+00 -7.91343E-04
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- 72000 7.19990E-12 1.00000E+00 -7.91343E-04
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- 73000 7.29990E-12 1.00000E+00 -7.91343E-04
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- 74000 7.39990E-12 1.00000E+00 -7.91343E-04
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- 75000 7.49990E-12 1.00000E+00 -7.91343E-04
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- 76000 7.59990E-12 1.00000E+00 -7.91343E-04
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- 77000 7.69990E-12 1.00000E+00 -7.91343E-04
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- 78000 7.79990E-12 1.00000E+00 -7.91343E-04
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- 79000 7.89990E-12 1.00000E+00 -7.91343E-04
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- 80000 7.99990E-12 1.00000E+00 -7.91343E-04
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- 81000 8.09990E-12 1.00000E+00 -7.91343E-04
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- 82000 8.19990E-12 1.00000E+00 -7.91343E-04
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- 83000 8.29990E-12 1.00000E+00 -7.91343E-04
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- 84000 8.39990E-12 1.00000E+00 -7.91343E-04
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- 85000 8.49990E-12 1.00000E+00 -7.91343E-04
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- 86000 8.59990E-12 1.00000E+00 -7.91343E-04
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- 87000 8.69990E-12 1.00000E+00 -7.91343E-04
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- 88000 8.79990E-12 1.00000E+00 -7.91343E-04
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- 89000 8.89990E-12 1.00000E+00 -7.91343E-04
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- 90000 8.99990E-12 1.00000E+00 -7.91343E-04
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- 91000 9.09990E-12 1.00000E+00 -7.91343E-04
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- 92000 9.19990E-12 1.00000E+00 -7.91343E-04
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- 93000 9.29990E-12 1.00000E+00 -7.91343E-04
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- 94000 9.39990E-12 1.00000E+00 -7.91343E-04
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- 95000 9.49990E-12 1.00000E+00 -7.91343E-04
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- 96000 9.59990E-12 1.00000E+00 -7.91343E-04
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- 97000 9.69990E-12 1.00000E+00 -7.91343E-04
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- 98000 9.79990E-12 1.00000E+00 -7.91343E-04
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- 99000 9.89990E-12 1.00000E+00 -7.91343E-04
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- 100000 9.99990E-12 1.00000E+00 -7.91343E-04
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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 -0.18827 0.98212 0.00000 1.00000
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- 0002 -0.18826 -0.98212 0.00000 1.00000
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# Temperature Cv chi BinderU4 Mst
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0.00000 0.00000E+00 -3.33067E-16 0.66667E+00 1.00000E+00
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================================================================================
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================================================================================
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-
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- Proc. 0 individual time (sec): cpu= 0.7 wall= 0.8
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================================================================================
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+Total cpu time 0.744 and wall time 0.753 sec
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multibinit : the run completed succesfully.
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