mirror of https://github.com/abinit/abinit.git
5672 lines
398 KiB
Plaintext
5672 lines
398 KiB
Plaintext
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.Version 10.2.4.2 of ABINIT, released Nov 2024.
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.(MPI version, prepared for a x86_64_linux_gnu13.2 computer)
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.Copyright (C) 1998-2025 ABINIT group .
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ABINIT 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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.Starting date : Wed 6 Nov 2024.
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- ( at 20h10 )
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- input file -> /home/buildbot/ABINIT3/eos_gnu_13.2_mpich/trunk_gonze-10.2/tests/Test_suite/v3_t33/t33.abi
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- output file -> t33.abo
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- root for input files -> t33i
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- root for output files -> t33o
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DATASET 1 : magnetic group, Shubnikov type IV
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Fedorov space group P2 2 2 (# 16)
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Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
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================================================================================
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Values of the parameters that define the memory need for DATASET 1.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 15 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.474 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 2 : magnetic group, Shubnikov type IV
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Fedorov space group P2 2 2 (# 16)
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Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
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================================================================================
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Values of the parameters that define the memory need for DATASET 2.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 15 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.474 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 3 : magnetic group, Shubnikov type IV
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Fedorov space group P2 2 2 (# 16)
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Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
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================================================================================
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Values of the parameters that define the memory need for DATASET 3.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 15 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.474 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 4 : magnetic group, Shubnikov type IV
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Fedorov space group P2 2 2_1 (# 17)
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Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
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================================================================================
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Values of the parameters that define the memory need for DATASET 4.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 15 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.474 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 5 : magnetic group, Shubnikov type IV
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Fedorov space group P2 2 2_1 (# 17)
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Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
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================================================================================
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Values of the parameters that define the memory need for DATASET 5.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 15 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.474 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 6 : magnetic group, Shubnikov type IV
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Fedorov space group P2 2 2_1 (# 17)
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Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
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================================================================================
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Values of the parameters that define the memory need for DATASET 6.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 15 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.474 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 7 : magnetic group, Shubnikov type IV
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Fedorov space group P2 2 2_1 (# 17)
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Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
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================================================================================
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Values of the parameters that define the memory need for DATASET 7.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 15 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.474 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 8 : magnetic group, Shubnikov type IV
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Fedorov space group P2 2 2_1 (# 17)
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Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
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================================================================================
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Values of the parameters that define the memory need for DATASET 8.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 15 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.474 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 9 : magnetic group, Shubnikov type IV
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Fedorov space group P2_1 2_1 2 (# 18)
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Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
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================================================================================
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Values of the parameters that define the memory need for DATASET 9.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 15 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.474 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 10 : magnetic group, Shubnikov type IV
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Fedorov space group P2_1 2_1 2 (# 18)
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Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
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================================================================================
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Values of the parameters that define the memory need for DATASET 10.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 15 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.474 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 11 : magnetic group, Shubnikov type IV
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Fedorov space group P2_1 2_1 2 (# 18)
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Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
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================================================================================
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Values of the parameters that define the memory need for DATASET 11.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 15 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.474 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 12 : magnetic group, Shubnikov type IV
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Fedorov space group P2_1 2_1 2 (# 18)
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Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
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================================================================================
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Values of the parameters that define the memory need for DATASET 12.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 15 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.474 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 13 : magnetic group, Shubnikov type IV
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Fedorov space group P2_1 2_1 2 (# 18)
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Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
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================================================================================
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Values of the parameters that define the memory need for DATASET 13.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 15 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.474 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 14 : magnetic group, Shubnikov type IV
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Fedorov space group P2_1 2_1 2_1 (# 19)
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Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
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================================================================================
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Values of the parameters that define the memory need for DATASET 14.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 15 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.474 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 15 : magnetic group, Shubnikov type IV
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Fedorov space group P2_1 2_1 2_1 (# 19)
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Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
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================================================================================
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Values of the parameters that define the memory need for DATASET 15.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 15 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.474 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 16 : magnetic group, Shubnikov type IV
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Fedorov space group P2_1 2_1 2_1 (# 19)
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Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
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================================================================================
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Values of the parameters that define the memory need for DATASET 16.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 15 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.474 Mbytes of memory.
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|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 17 : magnetic group, Shubnikov type IV
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Fedorov space group C2 2 2_1 (# 20)
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Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
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================================================================================
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Values of the parameters that define the memory need for DATASET 17.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 9 nfft = 360 nkpt = 1
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================================================================================
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P This job should need less than 1.353 Mbytes of memory.
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|
Rough estimation (10% accuracy) of disk space for files :
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|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
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|
================================================================================
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DATASET 18 : magnetic group, Shubnikov type IV
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Fedorov space group C2 2 2_1 (# 20)
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Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
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================================================================================
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|
Values of the parameters that define the memory need for DATASET 18.
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|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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|
occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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|
mpw = 9 nfft = 360 nkpt = 1
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|
================================================================================
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|
P This job should need less than 1.353 Mbytes of memory.
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|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
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================================================================================
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DATASET 19 : magnetic group, Shubnikov type IV
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Fedorov space group C2 2 2_1 (# 20)
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Magnetic Bravais lattice oC_A (1-face-centered ortho., 1-face-magnetic, #17)
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================================================================================
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Values of the parameters that define the memory need for DATASET 19.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 9 nfft = 360 nkpt = 1
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================================================================================
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|
P This job should need less than 1.353 Mbytes of memory.
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|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
|
|
================================================================================
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DATASET 20 : magnetic group, Shubnikov type IV
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|
Fedorov space group C2 2 2 (# 21)
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Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
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|
================================================================================
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|
Values of the parameters that define the memory need for DATASET 20.
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|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
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|
mpw = 9 nfft = 360 nkpt = 1
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|
================================================================================
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|
P This job should need less than 1.353 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
|
|
================================================================================
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|
|
DATASET 21 : magnetic group, Shubnikov type IV
|
|
Fedorov space group C2 2 2 (# 21)
|
|
Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 21.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 9 nfft = 360 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.353 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 22 : magnetic group, Shubnikov type IV
|
|
Fedorov space group C2 2 2 (# 21)
|
|
Magnetic Bravais lattice oC_A (1-face-centered ortho., 1-face-magnetic, #17)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 22.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 9 nfft = 360 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.353 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 23 : magnetic group, Shubnikov type IV
|
|
Fedorov space group F2 2 2 (# 22)
|
|
Magnetic Bravais lattice oF_s (face-center ortho., simple ortho. magnetic, #19)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 23.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 6 nfft = 216 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.287 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 24 : magnetic group, Shubnikov type IV
|
|
Fedorov space group I2 2 2 (# 23)
|
|
Magnetic Bravais lattice oI_c (body-center ortho., simple ortho. magn., #21)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 24.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 8 nfft = 512 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.415 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 25 : magnetic group, Shubnikov type IV
|
|
Fedorov space group I2_1 2_1 2_1 (# 24)
|
|
Magnetic Bravais lattice oI_c (body-center ortho., simple ortho. magn., #21)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 25.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 8 nfft = 512 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.415 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 26 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm m 2 (# 25)
|
|
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 26.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 27 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm m 2 (# 25)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 27.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 28 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm m 2 (# 25)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 28.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 29 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm m 2 (# 25)
|
|
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 29.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 30 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm m 2 (# 25)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 30.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 31 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm c 2_1 (# 26)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 31.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 32 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm c 2_1 (# 26)
|
|
Magnetic Bravais lattice oP_b (primitive ortho., b-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 32.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 33 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm c 2_1 (# 26)
|
|
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 33.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 34 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm c 2_1 (# 26)
|
|
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 34.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 35 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm c 2_1 (# 26)
|
|
Magnetic Bravais lattice oP_B (primitive ortho., B-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 35.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 36 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm c 2_1 (# 26)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 36.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 37 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm c 2_1 (# 26)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 37.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 38 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c 2 (# 27)
|
|
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 38.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 39 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c 2 (# 27)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 39.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 40 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c 2 (# 27)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 40.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 41 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c 2 (# 27)
|
|
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 41.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 42 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c 2 (# 27)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 42.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 43 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm a 2 (# 28)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 43.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 44 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm a 2 (# 28)
|
|
Magnetic Bravais lattice oP_b (primitive ortho., b-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 44.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 45 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm a 2 (# 28)
|
|
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 45.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 46 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm a 2 (# 28)
|
|
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 46.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 47 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm a 2 (# 28)
|
|
Magnetic Bravais lattice oP_B (primitive ortho., B-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 47.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 48 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm a 2 (# 28)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 48.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 49 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm a 2 (# 28)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 49.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 50 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc a 2_1 (# 29)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 50.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 51 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc a 2_1 (# 29)
|
|
Magnetic Bravais lattice oP_b (primitive ortho., b-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 51.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 52 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc a 2_1 (# 29)
|
|
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 52.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 53 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc a 2_1 (# 29)
|
|
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 53.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 54 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc a 2_1 (# 29)
|
|
Magnetic Bravais lattice oP_B (primitive ortho., B-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 54.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 55 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc a 2_1 (# 29)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 55.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 56 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc a 2_1 (# 29)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 56.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 57 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn c 2 (# 30)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 57.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 58 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn c 2 (# 30)
|
|
Magnetic Bravais lattice oP_b (primitive ortho., b-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 58.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 59 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn c 2 (# 30)
|
|
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 59.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 60 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn c 2 (# 30)
|
|
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 60.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 61 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn c 2 (# 30)
|
|
Magnetic Bravais lattice oP_B (primitive ortho., B-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 61.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 62 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn c 2 (# 30)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 62.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 63 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn c 2 (# 30)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 63.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 64 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm n 2_1 (# 31)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 64.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 65 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm n 2_1 (# 31)
|
|
Magnetic Bravais lattice oP_b (primitive ortho., b-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 65.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 66 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm n 2_1 (# 31)
|
|
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 66.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 67 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm n 2_1 (# 31)
|
|
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 67.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 68 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm n 2_1 (# 31)
|
|
Magnetic Bravais lattice oP_B (primitive ortho., B-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 68.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 69 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm n 2_1 (# 31)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 69.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 70 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm n 2_1 (# 31)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 70.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 71 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pb a 2 (# 32)
|
|
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 71.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 72 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pb a 2 (# 32)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 72.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 73 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pb a 2 (# 32)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 73.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 74 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pb a 2 (# 32)
|
|
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 74.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 75 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pb a 2 (# 32)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 75.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 76 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn a 2_1 (# 33)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 76.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 77 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn a 2_1 (# 33)
|
|
Magnetic Bravais lattice oP_b (primitive ortho., b-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 77.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 78 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn a 2_1 (# 33)
|
|
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 78.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 79 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn a 2_1 (# 33)
|
|
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 79.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 80 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn a 2_1 (# 33)
|
|
Magnetic Bravais lattice oP_B (primitive ortho., B-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 80.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 81 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn a 2_1 (# 33)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 81.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 82 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn a 2_1 (# 33)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 82.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 83 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn n 2 (# 34)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 83.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 84 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn n 2 (# 34)
|
|
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 84.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 85 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn n 2 (# 34)
|
|
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 85.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 86 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn n 2 (# 34)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 86.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 87 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn n 2 (# 34)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 87.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.474 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 88 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Cm m 2 (# 35)
|
|
Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 88.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 9 nfft = 360 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.353 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 89 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Cm m 2 (# 35)
|
|
Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 89.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 9 nfft = 360 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.353 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 90 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Cm m 2 (# 35)
|
|
Magnetic Bravais lattice oC_A (1-face-centered ortho., 1-face-magnetic, #17)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 90.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 9 nfft = 360 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.353 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 91 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Cm c 2_1 (# 36)
|
|
Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 91.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 9 nfft = 360 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.353 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 92 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Cm c 2_1 (# 36)
|
|
Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 92.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 9 nfft = 360 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.353 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 93 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Cm c 2_1 (# 36)
|
|
Magnetic Bravais lattice oC_A (1-face-centered ortho., 1-face-magnetic, #17)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 93.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 9 nfft = 360 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.353 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 94 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Cc c 2 (# 37)
|
|
Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 94.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 9 nfft = 360 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.353 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 95 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Cc c 2 (# 37)
|
|
Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 95.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 9 nfft = 360 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.353 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 96 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Cc c 2 (# 37)
|
|
Magnetic Bravais lattice oC_A (1-face-centered ortho., 1-face-magnetic, #17)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 96.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 9 nfft = 360 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.353 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
|
|
================================================================================
|
|
|
|
--------------------------------------------------------------------------------
|
|
------------- Echo of variables that govern the present computation ------------
|
|
--------------------------------------------------------------------------------
|
|
-
|
|
- outvars: echo of selected default values
|
|
- iomode0 = 0 , fftalg0 =512 , wfoptalg0 = 0
|
|
-
|
|
- outvars: echo of global parameters not present in the input file
|
|
- max_nthreads = 0
|
|
-
|
|
-outvars: echo values of preprocessed input variables --------
|
|
acell1 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell2 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell3 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell4 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell5 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell6 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell7 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell8 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell9 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell10 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell11 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell12 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell13 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell14 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell15 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell16 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell17 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell18 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell19 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell20 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell21 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell22 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell23 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell24 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell25 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell26 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell27 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell28 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell29 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell30 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell31 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell32 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell33 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell34 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell35 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell36 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell37 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell38 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell39 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell40 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell41 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell42 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell43 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell44 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell45 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell46 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell47 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell48 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell49 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell50 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell51 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell52 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell53 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell54 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell55 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell56 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell57 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell58 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell59 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell60 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell61 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell62 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell63 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell64 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell65 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell66 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell67 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell68 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell69 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell70 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell71 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell72 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell73 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell74 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell75 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell76 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell77 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell78 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell79 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell80 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell81 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell82 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell83 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell84 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell85 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell86 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell87 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell88 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell89 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell90 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell91 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell92 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell93 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell94 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell95 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell96 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
amu 1.00794000E+00
|
|
ecut 1.00000000E+00 Hartree
|
|
- fftalg 512
|
|
istwfk 2
|
|
jdtset 1 2 3 4 5 6 7 8 9 10
|
|
11 12 13 14 15 16 17 18 19 20
|
|
21 22 23 24 25 26 27 28 29 30
|
|
31 32 33 34 35 36 37 38 39 40
|
|
41 42 43 44 45 46 47 48 49 50
|
|
51 52 53 54 55 56 57 58 59 60
|
|
61 62 63 64 65 66 67 68 69 70
|
|
71 72 73 74 75 76 77 78 79 80
|
|
81 82 83 84 85 86 87 88 89 90
|
|
91 92 93 94 95 96
|
|
kptopt 0
|
|
P mkmem 1
|
|
natom 8
|
|
nband 8
|
|
ndtset 96
|
|
ngfft1 8 8 10
|
|
ngfft2 8 8 10
|
|
ngfft3 8 8 10
|
|
ngfft4 8 8 10
|
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ngfft5 8 8 10
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ngfft6 8 8 10
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ngfft7 8 8 10
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ngfft8 8 8 10
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ngfft9 8 8 10
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ngfft10 8 8 10
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ngfft11 8 8 10
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ngfft12 8 8 10
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ngfft13 8 8 10
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ngfft14 8 8 10
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ngfft15 8 8 10
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ngfft16 8 8 10
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ngfft17 6 6 10
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ngfft18 6 6 10
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ngfft19 6 6 10
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ngfft20 6 6 10
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|
ngfft21 6 6 10
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ngfft22 6 6 10
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ngfft23 6 6 6
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|
ngfft24 8 8 8
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|
ngfft25 8 8 8
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|
ngfft26 8 8 10
|
|
ngfft27 8 8 10
|
|
ngfft28 8 8 10
|
|
ngfft29 8 8 10
|
|
ngfft30 8 8 10
|
|
ngfft31 8 8 10
|
|
ngfft32 8 8 10
|
|
ngfft33 8 8 10
|
|
ngfft34 8 8 10
|
|
ngfft35 8 8 10
|
|
ngfft36 8 8 10
|
|
ngfft37 8 8 10
|
|
ngfft38 8 8 10
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|
ngfft39 8 8 10
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|
ngfft40 8 8 10
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|
ngfft41 8 8 10
|
|
ngfft42 8 8 10
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|
ngfft43 8 8 10
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|
ngfft44 8 8 10
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|
ngfft45 8 8 10
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|
ngfft46 8 8 10
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|
ngfft47 8 8 10
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|
ngfft48 8 8 10
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|
ngfft49 8 8 10
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|
ngfft50 8 8 10
|
|
ngfft51 8 8 10
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|
ngfft52 8 8 10
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|
ngfft53 8 8 10
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|
ngfft54 8 8 10
|
|
ngfft55 8 8 10
|
|
ngfft56 8 8 10
|
|
ngfft57 8 8 10
|
|
ngfft58 8 8 10
|
|
ngfft59 8 8 10
|
|
ngfft60 8 8 10
|
|
ngfft61 8 8 10
|
|
ngfft62 8 8 10
|
|
ngfft63 8 8 10
|
|
ngfft64 8 8 10
|
|
ngfft65 8 8 10
|
|
ngfft66 8 8 10
|
|
ngfft67 8 8 10
|
|
ngfft68 8 8 10
|
|
ngfft69 8 8 10
|
|
ngfft70 8 8 10
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|
ngfft71 8 8 10
|
|
ngfft72 8 8 10
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|
ngfft73 8 8 10
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|
ngfft74 8 8 10
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|
ngfft75 8 8 10
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|
ngfft76 8 8 10
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|
ngfft77 8 8 10
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|
ngfft78 8 8 10
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|
ngfft79 8 8 10
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|
ngfft80 8 8 10
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|
ngfft81 8 8 10
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|
ngfft82 8 8 10
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|
ngfft83 8 8 10
|
|
ngfft84 8 8 10
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|
ngfft85 8 8 10
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|
ngfft86 8 8 10
|
|
ngfft87 8 8 10
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|
ngfft88 6 6 10
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|
ngfft89 6 6 10
|
|
ngfft90 6 6 10
|
|
ngfft91 6 6 10
|
|
ngfft92 6 6 10
|
|
ngfft93 6 6 10
|
|
ngfft94 6 6 10
|
|
ngfft95 6 6 10
|
|
ngfft96 6 6 10
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nkpt 1
|
|
nline 1
|
|
nspden 2
|
|
nsppol 2
|
|
nstep 1
|
|
nsym 8
|
|
ntypat 1
|
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occ 1.000000 1.000000 1.000000 1.000000 0.000000 0.000000
|
|
0.000000 0.000000
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|
1.000000 1.000000 1.000000 1.000000 0.000000 0.000000
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|
0.000000 0.000000
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|
occopt 7
|
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prtvol -1
|
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rprim1 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim2 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim3 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim4 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim5 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim6 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim7 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim8 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim9 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim10 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim11 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim12 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim13 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim14 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim15 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim16 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim17 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
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rprim18 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
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rprim19 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
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rprim20 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
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rprim21 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
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rprim22 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
|
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rprim23 5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
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|
3.5000000000E+00 2.7554552981E-16 4.5000000000E+00
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|
3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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rprim24 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
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|
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
|
|
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
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rprim25 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
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3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
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3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
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rprim26 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim27 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim28 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim29 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim30 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim31 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim32 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim33 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim34 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim35 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim36 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim37 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim38 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim39 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim40 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim41 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim42 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim43 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim44 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim45 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim46 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim47 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim48 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim49 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim50 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim51 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim52 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim53 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim54 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim55 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim56 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim57 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim58 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim59 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim60 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim61 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim62 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim63 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim64 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim65 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim66 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim67 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim68 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim69 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim70 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim71 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim72 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim73 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim74 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim75 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim76 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim77 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim78 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim79 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim80 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim81 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim82 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim83 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim84 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim85 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim86 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim87 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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rprim88 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
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rprim89 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
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rprim90 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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rprim91 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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rprim92 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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rprim93 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
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rprim94 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
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rprim95 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
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rprim96 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
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spgroup1 16
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spgroup2 16
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spgroup3 16
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spgroup4 17
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spgroup5 17
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spgroup6 17
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spgroup7 17
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spgroup8 17
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spgroup9 18
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spgroup10 18
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spgroup11 18
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spgroup12 18
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spgroup13 18
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spgroup14 19
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spgroup15 19
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spgroup16 19
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spgroup17 20
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spgroup18 20
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spgroup21 21
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spgroup22 21
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spgroup23 22
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spgroup27 25
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spgroup28 25
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spgroup30 25
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spgroup37 26
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spgroup38 27
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spgroup57 30
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spgroup60 30
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spgroup62 30
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spgroup64 31
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spinat 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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symafm 1 1 1 1 -1 -1 -1 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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symrel2 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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symrel3 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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symrel4 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 -1 -1 0 0 0 1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 -1 -1 0 0 0 1 0 0 0 -1
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symrel5 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 -1 -1 0 0 0 1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 -1 -1 0 0 0 1 0 0 0 -1
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symrel6 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 -1 -1 0 0 0 1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 -1 -1 0 0 0 1 0 0 0 -1
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symrel7 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 -1 -1 0 0 0 1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 -1 -1 0 0 0 1 0 0 0 -1
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symrel8 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 -1 -1 0 0 0 1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 -1 -1 0 0 0 1 0 0 0 -1
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symrel9 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 -1
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symrel10 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 -1
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symrel11 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 -1
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symrel12 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 -1
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symrel13 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 -1
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symrel14 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 -1
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symrel15 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 -1
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symrel16 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 -1
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symrel17 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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0 -1 0 -1 0 0 0 0 -1 0 1 0 1 0 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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0 -1 0 -1 0 0 0 0 -1 0 1 0 1 0 0 0 0 -1
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symrel18 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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0 -1 0 -1 0 0 0 0 -1 0 1 0 1 0 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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0 -1 0 -1 0 0 0 0 -1 0 1 0 1 0 0 0 0 -1
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symrel19 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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0 -1 0 -1 0 0 0 0 -1 0 1 0 1 0 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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0 -1 0 -1 0 0 0 0 -1 0 1 0 1 0 0 0 0 -1
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symrel20 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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0 1 0 1 0 0 0 0 -1 0 -1 0 -1 0 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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0 1 0 1 0 0 0 0 -1 0 -1 0 -1 0 0 0 0 -1
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symrel21 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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0 1 0 1 0 0 0 0 -1 0 -1 0 -1 0 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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0 1 0 1 0 0 0 0 -1 0 -1 0 -1 0 0 0 0 -1
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symrel22 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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0 1 0 1 0 0 0 0 -1 0 -1 0 -1 0 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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0 1 0 1 0 0 0 0 -1 0 -1 0 -1 0 0 0 0 -1
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symrel23 1 0 0 0 1 0 0 0 1 0 1 -1 1 0 -1 0 0 -1
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0 -1 1 0 -1 0 1 -1 0 -1 0 0 -1 0 1 -1 1 0
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1 0 0 0 1 0 0 0 1 0 1 -1 1 0 -1 0 0 -1
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0 -1 1 0 -1 0 1 -1 0 -1 0 0 -1 0 1 -1 1 0
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symrel24 1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 -1 -1 -1
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0 0 1 -1 -1 -1 1 0 0 -1 -1 -1 0 0 1 0 1 0
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1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 -1 -1 -1
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0 0 1 -1 -1 -1 1 0 0 -1 -1 -1 0 0 1 0 1 0
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symrel25 1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 -1 -1 -1
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0 0 1 -1 -1 -1 1 0 0 -1 -1 -1 0 0 1 0 1 0
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1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 -1 -1 -1
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0 0 1 -1 -1 -1 1 0 0 -1 -1 -1 0 0 1 0 1 0
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symrel26 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 1 -1 0 0 0 1 0 0 0 1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 1 -1 0 0 0 1 0 0 0 1
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symrel27 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 1 -1 0 0 0 1 0 0 0 1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 1 -1 0 0 0 1 0 0 0 1
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symrel28 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 1 -1 0 0 0 1 0 0 0 1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 1 -1 0 0 0 1 0 0 0 1
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symrel29 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 1 -1 0 0 0 1 0 0 0 1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 1 -1 0 0 0 1 0 0 0 1
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symrel30 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 1 -1 0 0 0 1 0 0 0 1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 1 -1 0 0 0 1 0 0 0 1
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symrel31 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 1 -1 0 0 0 1 0 0 0 1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 1 -1 0 0 0 1 0 0 0 1
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symrel32 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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1 0 0 0 -1 0 0 0 1 -1 0 0 0 1 0 0 0 1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 1
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typat 1 1 1 1 1 1 1 1
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xcart1 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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4.6900000000E+00 6.8000000000E+00 8.0100000000E+00
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xcart2 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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5.8100000000E+00 6.8000000000E+00 9.9000000000E-01
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5.8100000000E+00 1.2000000000E+00 8.0100000000E+00
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1.1900000000E+00 6.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 5.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 5.2000000000E+00 8.0100000000E+00
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4.6900000000E+00 2.8000000000E+00 8.0100000000E+00
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xcart3 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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5.8100000000E+00 6.8000000000E+00 9.9000000000E-01
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5.8100000000E+00 1.2000000000E+00 8.0100000000E+00
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1.1900000000E+00 6.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 5.2000000000E+00 5.4900000000E+00
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2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
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2.3100000000E+00 5.2000000000E+00 3.5100000000E+00
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4.6900000000E+00 2.8000000000E+00 3.5100000000E+00
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xcart4 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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5.8100000000E+00 6.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 1.2000000000E+00 3.5100000000E+00
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4.6900000000E+00 6.8000000000E+00 8.0100000000E+00
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2.3100000000E+00 1.2000000000E+00 3.5100000000E+00
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xcart5 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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5.8100000000E+00 6.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 6.8000000000E+00 9.9000000000E-01
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1.1900000000E+00 6.8000000000E+00 3.5100000000E+00
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xcart6 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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5.8100000000E+00 6.8000000000E+00 5.4900000000E+00
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8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
6.7000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
xred74 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
1.7000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 1.5000000000E-01 6.1000000000E-01
|
|
xred75 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
6.7000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 6.1000000000E-01
|
|
xred76 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
xred77 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
1.7000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 1.5000000000E-01 6.1000000000E-01
|
|
xred78 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
1.7000000000E-01 1.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
xred79 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
1.7000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
6.7000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
xred80 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 1.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
xred81 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 6.1000000000E-01
|
|
xred82 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
xred83 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
xred84 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
1.7000000000E-01 1.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
xred85 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
1.7000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
xred86 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 6.1000000000E-01
|
|
xred87 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
xred88 3.2000000000E-01 9.8000000000E-01 1.1000000000E-01
|
|
6.8000000000E-01 2.0000000000E-02 1.1000000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 1.1000000000E-01
|
|
9.8000000000E-01 3.2000000000E-01 1.1000000000E-01
|
|
3.2000000000E-01 9.8000000000E-01 6.1000000000E-01
|
|
6.8000000000E-01 2.0000000000E-02 6.1000000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 6.1000000000E-01
|
|
9.8000000000E-01 3.2000000000E-01 6.1000000000E-01
|
|
xred89 3.2000000000E-01 9.8000000000E-01 1.1000000000E-01
|
|
6.8000000000E-01 2.0000000000E-02 1.1000000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 1.1000000000E-01
|
|
9.8000000000E-01 3.2000000000E-01 1.1000000000E-01
|
|
8.2000000000E-01 4.8000000000E-01 1.1000000000E-01
|
|
1.8000000000E-01 5.2000000000E-01 1.1000000000E-01
|
|
5.2000000000E-01 1.8000000000E-01 1.1000000000E-01
|
|
4.8000000000E-01 8.2000000000E-01 1.1000000000E-01
|
|
xred90 3.2000000000E-01 9.8000000000E-01 1.1000000000E-01
|
|
6.8000000000E-01 2.0000000000E-02 1.1000000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 1.1000000000E-01
|
|
9.8000000000E-01 3.2000000000E-01 1.1000000000E-01
|
|
8.2000000000E-01 4.8000000000E-01 6.1000000000E-01
|
|
1.8000000000E-01 5.2000000000E-01 6.1000000000E-01
|
|
5.2000000000E-01 1.8000000000E-01 6.1000000000E-01
|
|
4.8000000000E-01 8.2000000000E-01 6.1000000000E-01
|
|
xred91 3.2000000000E-01 9.8000000000E-01 1.1000000000E-01
|
|
6.8000000000E-01 2.0000000000E-02 6.1000000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 6.1000000000E-01
|
|
9.8000000000E-01 3.2000000000E-01 1.1000000000E-01
|
|
3.2000000000E-01 9.8000000000E-01 6.1000000000E-01
|
|
6.8000000000E-01 2.0000000000E-02 1.1000000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 1.1000000000E-01
|
|
9.8000000000E-01 3.2000000000E-01 6.1000000000E-01
|
|
xred92 3.2000000000E-01 9.8000000000E-01 1.1000000000E-01
|
|
6.8000000000E-01 2.0000000000E-02 6.1000000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 6.1000000000E-01
|
|
9.8000000000E-01 3.2000000000E-01 1.1000000000E-01
|
|
8.2000000000E-01 4.8000000000E-01 1.1000000000E-01
|
|
1.8000000000E-01 5.2000000000E-01 6.1000000000E-01
|
|
5.2000000000E-01 1.8000000000E-01 6.1000000000E-01
|
|
4.8000000000E-01 8.2000000000E-01 1.1000000000E-01
|
|
xred93 3.2000000000E-01 9.8000000000E-01 1.1000000000E-01
|
|
6.8000000000E-01 2.0000000000E-02 6.1000000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 6.1000000000E-01
|
|
9.8000000000E-01 3.2000000000E-01 1.1000000000E-01
|
|
8.2000000000E-01 4.8000000000E-01 6.1000000000E-01
|
|
1.8000000000E-01 5.2000000000E-01 1.1000000000E-01
|
|
5.2000000000E-01 1.8000000000E-01 1.1000000000E-01
|
|
4.8000000000E-01 8.2000000000E-01 6.1000000000E-01
|
|
xred94 3.2000000000E-01 9.8000000000E-01 1.1000000000E-01
|
|
6.8000000000E-01 2.0000000000E-02 1.1000000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 6.1000000000E-01
|
|
9.8000000000E-01 3.2000000000E-01 6.1000000000E-01
|
|
3.2000000000E-01 9.8000000000E-01 6.1000000000E-01
|
|
6.8000000000E-01 2.0000000000E-02 6.1000000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 1.1000000000E-01
|
|
9.8000000000E-01 3.2000000000E-01 1.1000000000E-01
|
|
xred95 3.2000000000E-01 9.8000000000E-01 1.1000000000E-01
|
|
6.8000000000E-01 2.0000000000E-02 1.1000000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 6.1000000000E-01
|
|
9.8000000000E-01 3.2000000000E-01 6.1000000000E-01
|
|
8.2000000000E-01 4.8000000000E-01 1.1000000000E-01
|
|
1.8000000000E-01 5.2000000000E-01 1.1000000000E-01
|
|
5.2000000000E-01 1.8000000000E-01 6.1000000000E-01
|
|
4.8000000000E-01 8.2000000000E-01 6.1000000000E-01
|
|
xred96 3.2000000000E-01 9.8000000000E-01 1.1000000000E-01
|
|
6.8000000000E-01 2.0000000000E-02 1.1000000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 6.1000000000E-01
|
|
9.8000000000E-01 3.2000000000E-01 6.1000000000E-01
|
|
8.2000000000E-01 4.8000000000E-01 6.1000000000E-01
|
|
1.8000000000E-01 5.2000000000E-01 6.1000000000E-01
|
|
5.2000000000E-01 1.8000000000E-01 1.1000000000E-01
|
|
4.8000000000E-01 8.2000000000E-01 1.1000000000E-01
|
|
znucl 1.00000
|
|
|
|
================================================================================
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 1.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 2.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 3.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 4.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 5.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 6.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 7.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 8.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 9.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 10.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 11.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 12.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 13.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 14.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 15.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 16.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 17.
|
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chkinp: Checking input parameters for consistency, jdtset= 18.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 19.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 20.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 21.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 22.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 23.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 24.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 25.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 26.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 27.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 28.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 29.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 30.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 31.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 32.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 33.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 34.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 35.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 36.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 37.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 38.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 39.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 40.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 41.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 42.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 43.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 44.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 45.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 46.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 47.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 48.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 49.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 50.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 51.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 52.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 53.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 54.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 55.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 56.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 57.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 58.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 59.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 60.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 61.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 62.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 63.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 64.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 65.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 66.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 67.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 68.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 69.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 70.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 71.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 72.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 73.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 74.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 75.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 76.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 77.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 78.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 79.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 80.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 81.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 82.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 83.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 84.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 85.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 86.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 87.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 88.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 89.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 90.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 91.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 92.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 93.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 94.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 95.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 96.
|
|
|
|
abinit : before driver, prtvol=-1, debugging mode => will skip driver
|
|
|
|
== END DATASET(S) ==============================================================
|
|
================================================================================
|
|
|
|
abinit : before driver, prtvol=-1, debugging mode => will skip outvars
|
|
|
|
|
|
- Timing analysis has been suppressed with timopt=0
|
|
|
|
|
|
|
|
abinit : before driver, prtvol=-1, debugging mode => will skip acknowledgments
|
|
-
|
|
- Proc. 0 individual time (sec): cpu= 16.4 wall= 16.4
|
|
|
|
================================================================================
|
|
|
|
Calculation completed.
|
|
.Delivered 0 WARNINGs and 98 COMMENTs to log file.
|
|
+Overall time at end (sec) : cpu= 16.4 wall= 16.4
|