mirror of https://github.com/abinit/abinit.git
5292 lines
365 KiB
Plaintext
5292 lines
365 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 20h16 )
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- input file -> /home/buildbot/ABINIT3/eos_gnu_13.2_mpich/trunk_gonze-10.2/tests/Test_suite/v4_t22/t22.abi
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- output file -> t22.abo
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- root for input files -> t22i
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- root for output files -> t22o
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DATASET 1 : magnetic group, Shubnikov type III
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Fedorov space group Pm m m (# 47); Bravais oP (primitive ortho.)
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Magnetic point group mmm' (# 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 III
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Fedorov space group Pm m m (# 47); Bravais oP (primitive ortho.)
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Magnetic point group m'm'm (# 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 III
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Fedorov space group Pm m m (# 47); Bravais oP (primitive ortho.)
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Magnetic point group m'm'm' (# 10)
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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 III
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Fedorov space group Pn n n (# 48); Bravais oP (primitive ortho.)
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Magnetic point group mmm' (# 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 III
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Fedorov space group Pn n n (# 48); Bravais oP (primitive ortho.)
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Magnetic point group m'm'm (# 12)
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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 III
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Fedorov space group Pn n n (# 48); Bravais oP (primitive ortho.)
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Magnetic point group m'm'm' (# 10)
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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 III
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Fedorov space group Pc c m (# 49); Bravais oP (primitive ortho.)
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Magnetic point group mmm' (# 11)
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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 III
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Fedorov space group Pc c m (# 49); Bravais oP (primitive ortho.)
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Magnetic point group mmm' (# 11)
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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 III
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Fedorov space group Pc c m (# 49); Bravais oP (primitive ortho.)
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Magnetic point group m'm'm (# 12)
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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 III
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Fedorov space group Pc c m (# 49); Bravais oP (primitive ortho.)
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Magnetic point group m'm'm (# 12)
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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 III
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Fedorov space group Pc c m (# 49); Bravais oP (primitive ortho.)
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Magnetic point group m'm'm' (# 10)
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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 III
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Fedorov space group Pb a n (# 50); Bravais oP (primitive ortho.)
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Magnetic point group mmm' (# 11)
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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 III
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Fedorov space group Pb a n (# 50); Bravais oP (primitive ortho.)
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Magnetic point group mmm' (# 11)
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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 III
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Fedorov space group Pb a n (# 50); Bravais oP (primitive ortho.)
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Magnetic point group m'm'm (# 12)
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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 III
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Fedorov space group Pb a n (# 50); Bravais oP (primitive ortho.)
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Magnetic point group m'm'm (# 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 III
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Fedorov space group Pb a n (# 50); Bravais oP (primitive ortho.)
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Magnetic point group m'm'm' (# 10)
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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 :
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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 17 : magnetic group, Shubnikov type III
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|
Fedorov space group Pm m a (# 51); Bravais oP (primitive ortho.)
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Magnetic point group mmm' (# 11)
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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
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
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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 18 : magnetic group, Shubnikov type III
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|
Fedorov space group Pm m a (# 51); Bravais oP (primitive ortho.)
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|
Magnetic point group mmm' (# 11)
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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
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
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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 19 : magnetic group, Shubnikov type III
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|
Fedorov space group Pm m a (# 51); Bravais oP (primitive ortho.)
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Magnetic point group mmm' (# 11)
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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 = 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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|
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DATASET 20 : magnetic group, Shubnikov type III
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|
Fedorov space group Pm m a (# 51); Bravais oP (primitive ortho.)
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Magnetic point group m'm'm (# 12)
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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
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
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|
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.
|
|
================================================================================
|
|
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|
DATASET 21 : magnetic group, Shubnikov type III
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|
Fedorov space group Pm m a (# 51); Bravais oP (primitive ortho.)
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Magnetic point group m'm'm (# 12)
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|
================================================================================
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|
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 = 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 22 : magnetic group, Shubnikov type III
|
|
Fedorov space group Pm m a (# 51); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 12)
|
|
================================================================================
|
|
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 = 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 23 : magnetic group, Shubnikov type III
|
|
Fedorov space group Pm m a (# 51); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm' (# 10)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 23.
|
|
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 24 : magnetic group, Shubnikov type III
|
|
Fedorov space group Pn n a (# 52); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 24.
|
|
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 25 : magnetic group, Shubnikov type III
|
|
Fedorov space group Pn n a (# 52); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 25.
|
|
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 26 : magnetic group, Shubnikov type III
|
|
Fedorov space group Pn n a (# 52); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 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 III
|
|
Fedorov space group Pn n a (# 52); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 12)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pn n a (# 52); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 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 III
|
|
Fedorov space group Pn n a (# 52); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 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 III
|
|
Fedorov space group Pn n a (# 52); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm' (# 10)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pm n a (# 53); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 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 III
|
|
Fedorov space group Pm n a (# 53); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 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 III
|
|
Fedorov space group Pm n a (# 53); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 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 III
|
|
Fedorov space group Pm n a (# 53); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 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 III
|
|
Fedorov space group Pm n a (# 53); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 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 III
|
|
Fedorov space group Pm n a (# 53); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 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 III
|
|
Fedorov space group Pm n a (# 53); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm' (# 10)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pc c a (# 54); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 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 III
|
|
Fedorov space group Pc c a (# 54); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 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 III
|
|
Fedorov space group Pc c a (# 54); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 11)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pc c a (# 54); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 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 III
|
|
Fedorov space group Pc c a (# 54); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 12)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pc c a (# 54); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 12)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pc c a (# 54); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm' (# 10)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pb a m (# 55); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 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 III
|
|
Fedorov space group Pb a m (# 55); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 11)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pb a m (# 55); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 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 III
|
|
Fedorov space group Pb a m (# 55); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 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 III
|
|
Fedorov space group Pb a m (# 55); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm' (# 10)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pc c n (# 56); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 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 III
|
|
Fedorov space group Pc c n (# 56); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 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 III
|
|
Fedorov space group Pc c n (# 56); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 12)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pc c n (# 56); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 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 III
|
|
Fedorov space group Pc c n (# 56); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm' (# 10)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pb c m (# 57); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 11)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pb c m (# 57); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 11)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pb c m (# 57); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 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 III
|
|
Fedorov space group Pb c m (# 57); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 12)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pb c m (# 57); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 12)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pb c m (# 57); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 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 III
|
|
Fedorov space group Pb c m (# 57); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm' (# 10)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pn n m (# 58); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 11)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pn n m (# 58); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 11)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pn n m (# 58); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 12)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pn n m (# 58); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 12)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pn n m (# 58); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm' (# 10)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pm m n (# 59); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 11)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pm m n (# 59); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 11)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pm m n (# 59); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 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 III
|
|
Fedorov space group Pm m n (# 59); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 12)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pm m n (# 59); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm' (# 10)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pb c n (# 60); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 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 III
|
|
Fedorov space group Pb c n (# 60); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 11)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pb c n (# 60); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 11)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pb c n (# 60); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 12)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pb c n (# 60); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 12)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pb c n (# 60); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 12)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pb c n (# 60); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm' (# 10)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pb c a (# 61); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 11)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pb c a (# 61); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 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 III
|
|
Fedorov space group Pb c a (# 61); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm' (# 10)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pn m a (# 62); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 11)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pn m a (# 62); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 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 III
|
|
Fedorov space group Pn m a (# 62); Bravais oP (primitive ortho.)
|
|
Magnetic point group mmm' (# 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 III
|
|
Fedorov space group Pn m a (# 62); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 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 III
|
|
Fedorov space group Pn m a (# 62); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 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 III
|
|
Fedorov space group Pn m a (# 62); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm (# 12)
|
|
================================================================================
|
|
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 III
|
|
Fedorov space group Pn m a (# 62); Bravais oP (primitive ortho.)
|
|
Magnetic point group m'm'm' (# 10)
|
|
================================================================================
|
|
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 = 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.
|
|
================================================================================
|
|
|
|
--------------------------------------------------------------------------------
|
|
------------- 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 --------
|
|
acell 7.0000000000E+00 8.0000000000E+00 9.0000000000E+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
|
|
kptopt 0
|
|
P mkmem 1
|
|
natom 8
|
|
nband 8
|
|
ndtset 88
|
|
ngfft 8 8 10
|
|
nkpt 1
|
|
nline 1
|
|
nspden 2
|
|
nsppol 2
|
|
nstep 1
|
|
nsym 8
|
|
ntypat 1
|
|
occ 1.000000 1.000000 1.000000 1.000000 0.000000 0.000000
|
|
0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 0.000000 0.000000
|
|
0.000000 0.000000
|
|
occopt 7
|
|
prtvol -1
|
|
ptgroupma1 11
|
|
ptgroupma2 12
|
|
ptgroupma3 10
|
|
ptgroupma4 11
|
|
ptgroupma5 12
|
|
ptgroupma6 10
|
|
ptgroupma7 11
|
|
ptgroupma8 11
|
|
ptgroupma9 12
|
|
ptgroupma10 12
|
|
ptgroupma11 10
|
|
ptgroupma12 11
|
|
ptgroupma13 11
|
|
ptgroupma14 12
|
|
ptgroupma15 12
|
|
ptgroupma16 10
|
|
ptgroupma17 11
|
|
ptgroupma18 11
|
|
ptgroupma19 11
|
|
ptgroupma20 12
|
|
ptgroupma21 12
|
|
ptgroupma22 12
|
|
ptgroupma23 10
|
|
ptgroupma24 11
|
|
ptgroupma25 11
|
|
ptgroupma26 11
|
|
ptgroupma27 12
|
|
ptgroupma28 12
|
|
ptgroupma29 12
|
|
ptgroupma30 10
|
|
ptgroupma31 11
|
|
ptgroupma32 11
|
|
ptgroupma33 11
|
|
ptgroupma34 12
|
|
ptgroupma35 12
|
|
ptgroupma36 12
|
|
ptgroupma37 10
|
|
ptgroupma38 11
|
|
ptgroupma39 11
|
|
ptgroupma40 11
|
|
ptgroupma41 12
|
|
ptgroupma42 12
|
|
ptgroupma43 12
|
|
ptgroupma44 10
|
|
ptgroupma45 11
|
|
ptgroupma46 11
|
|
ptgroupma47 12
|
|
ptgroupma48 12
|
|
ptgroupma49 10
|
|
ptgroupma50 11
|
|
ptgroupma51 11
|
|
ptgroupma52 12
|
|
ptgroupma53 12
|
|
ptgroupma54 10
|
|
ptgroupma55 11
|
|
ptgroupma56 11
|
|
ptgroupma57 11
|
|
ptgroupma58 12
|
|
ptgroupma59 12
|
|
ptgroupma60 12
|
|
ptgroupma61 10
|
|
ptgroupma62 11
|
|
ptgroupma63 11
|
|
ptgroupma64 12
|
|
ptgroupma65 12
|
|
ptgroupma66 10
|
|
ptgroupma67 11
|
|
ptgroupma68 11
|
|
ptgroupma69 12
|
|
ptgroupma70 12
|
|
ptgroupma71 10
|
|
ptgroupma72 11
|
|
ptgroupma73 11
|
|
ptgroupma74 11
|
|
ptgroupma75 12
|
|
ptgroupma76 12
|
|
ptgroupma77 12
|
|
ptgroupma78 10
|
|
ptgroupma79 11
|
|
ptgroupma80 12
|
|
ptgroupma81 10
|
|
ptgroupma82 11
|
|
ptgroupma83 11
|
|
ptgroupma84 11
|
|
ptgroupma85 12
|
|
ptgroupma86 12
|
|
ptgroupma87 12
|
|
ptgroupma88 10
|
|
spgroup1 47
|
|
spgroup2 47
|
|
spgroup3 47
|
|
spgroup4 48
|
|
spgroup5 48
|
|
spgroup6 48
|
|
spgroup7 49
|
|
spgroup8 49
|
|
spgroup9 49
|
|
spgroup10 49
|
|
spgroup11 49
|
|
spgroup12 50
|
|
spgroup13 50
|
|
spgroup14 50
|
|
spgroup15 50
|
|
spgroup16 50
|
|
spgroup17 51
|
|
spgroup18 51
|
|
spgroup19 51
|
|
spgroup20 51
|
|
spgroup21 51
|
|
spgroup22 51
|
|
spgroup23 51
|
|
spgroup24 52
|
|
spgroup25 52
|
|
spgroup26 52
|
|
spgroup27 52
|
|
spgroup28 52
|
|
spgroup29 52
|
|
spgroup30 52
|
|
spgroup31 53
|
|
spgroup32 53
|
|
spgroup33 53
|
|
spgroup34 53
|
|
spgroup35 53
|
|
spgroup36 53
|
|
spgroup37 53
|
|
spgroup38 54
|
|
spgroup39 54
|
|
spgroup40 54
|
|
spgroup41 54
|
|
spgroup42 54
|
|
spgroup43 54
|
|
spgroup44 54
|
|
spgroup45 55
|
|
spgroup46 55
|
|
spgroup47 55
|
|
spgroup48 55
|
|
spgroup49 55
|
|
spgroup50 56
|
|
spgroup51 56
|
|
spgroup52 56
|
|
spgroup53 56
|
|
spgroup54 56
|
|
spgroup55 57
|
|
spgroup56 57
|
|
spgroup57 57
|
|
spgroup58 57
|
|
spgroup59 57
|
|
spgroup60 57
|
|
spgroup61 57
|
|
spgroup62 58
|
|
spgroup63 58
|
|
spgroup64 58
|
|
spgroup65 58
|
|
spgroup66 58
|
|
spgroup67 59
|
|
spgroup68 59
|
|
spgroup69 59
|
|
spgroup70 59
|
|
spgroup71 59
|
|
spgroup72 60
|
|
spgroup73 60
|
|
spgroup74 60
|
|
spgroup75 60
|
|
spgroup76 60
|
|
spgroup77 60
|
|
spgroup78 60
|
|
spgroup79 61
|
|
spgroup80 61
|
|
spgroup81 61
|
|
spgroup82 62
|
|
spgroup83 62
|
|
spgroup84 62
|
|
spgroup85 62
|
|
spgroup86 62
|
|
spgroup87 62
|
|
spgroup88 62
|
|
spinat1 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
spinat2 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
spinat3 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
spinat4 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
spinat5 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
spinat6 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
spinat7 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
spinat8 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
spinat9 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
spinat10 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
spinat11 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
spinat12 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
spinat13 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
spinat14 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
spinat15 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
spinat16 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
spinat17 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
spinat18 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
|
|
-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
|
|
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toldfe 1.00000000E-06 Hartree
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typat 1 1 1 1 1 1 1 1
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3.0745195819E+00 3.5984050184E+00 5.2388543650E-01
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3.0745195819E+00 3.5984050184E+00 5.2388543650E-01
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3.0745195819E+00 6.3501265031E-01 4.2387094408E+00
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1.2223993518E+00 1.4816961841E+00 1.8574120022E+00
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2.4818411083E+00 2.7517214847E+00 1.8574120022E+00
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2.4818411083E+00 1.4816961841E+00 2.9051828752E+00
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1.2223993518E+00 2.7517214847E+00 2.9051828752E+00
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3.0745195819E+00 3.5984050184E+00 5.2388543650E-01
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3.0745195819E+00 6.3501265031E-01 4.2387094408E+00
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6.2972087822E-01 3.5984050184E+00 4.2387094408E+00
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1.2223993518E+00 1.4816961841E+00 1.8574120022E+00
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2.4818411083E+00 2.7517214847E+00 1.8574120022E+00
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2.4818411083E+00 1.4816961841E+00 2.9051828752E+00
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1.2223993518E+00 2.7517214847E+00 2.9051828752E+00
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3.0745195819E+00 3.5984050184E+00 5.2388543650E-01
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3.0745195819E+00 6.3501265031E-01 4.2387094408E+00
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6.2972087822E-01 3.5984050184E+00 4.2387094408E+00
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1.2223993518E+00 1.4816961841E+00 1.8574120022E+00
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2.4818411083E+00 2.7517214847E+00 1.8574120022E+00
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2.4818411083E+00 1.4816961841E+00 2.9051828752E+00
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1.2223993518E+00 2.7517214847E+00 2.9051828752E+00
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xangst7 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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3.0745195819E+00 3.5984050184E+00 5.2388543650E-01
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3.0745195819E+00 6.3501265031E-01 1.8574120022E+00
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6.2972087822E-01 3.5984050184E+00 1.8574120022E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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6.2972087822E-01 6.3501265031E-01 4.2387094408E+00
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6.2972087822E-01 3.5984050184E+00 2.9051828752E+00
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3.0745195819E+00 6.3501265031E-01 2.9051828752E+00
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3.0745195819E+00 3.5984050184E+00 5.2388543650E-01
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3.0745195819E+00 6.3501265031E-01 1.8574120022E+00
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6.2972087822E-01 3.5984050184E+00 1.8574120022E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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6.2972087822E-01 6.3501265031E-01 4.2387094408E+00
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3.0745195819E+00 3.5984050184E+00 5.2388543650E-01
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6.2972087822E-01 6.3501265031E-01 4.2387094408E+00
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1.2223993518E+00 2.7517214847E+00 2.9051828752E+00
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xangst65 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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3.0745195819E+00 3.5984050184E+00 5.2388543650E-01
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6.2972087822E-01 6.3501265031E-01 4.2387094408E+00
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1.2223993518E+00 2.7517214847E+00 2.9051828752E+00
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xangst66 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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3.0745195819E+00 3.5984050184E+00 5.2388543650E-01
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1.2223993518E+00 2.7517214847E+00 1.8574120022E+00
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2.4818411083E+00 1.4816961841E+00 1.8574120022E+00
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6.2972087822E-01 6.3501265031E-01 4.2387094408E+00
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2.4818411083E+00 1.4816961841E+00 2.9051828752E+00
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1.2223993518E+00 2.7517214847E+00 2.9051828752E+00
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xangst67 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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3.0745195819E+00 3.5984050184E+00 5.2388543650E-01
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1.2223993518E+00 2.7517214847E+00 4.2387094408E+00
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2.4818411083E+00 1.4816961841E+00 4.2387094408E+00
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1.2223993518E+00 1.4816961841E+00 4.2387094408E+00
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2.4818411083E+00 2.7517214847E+00 4.2387094408E+00
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6.2972087822E-01 3.5984050184E+00 5.2388543650E-01
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3.0745195819E+00 6.3501265031E-01 5.2388543650E-01
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xangst68 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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3.0745195819E+00 3.5984050184E+00 5.2388543650E-01
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2.4818411083E+00 2.7517214847E+00 4.2387094408E+00
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6.2972087822E-01 3.5984050184E+00 5.2388543650E-01
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3.0745195819E+00 6.3501265031E-01 5.2388543650E-01
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xangst69 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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6.2972087822E-01 3.5984050184E+00 5.2388543650E-01
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3.0745195819E+00 6.3501265031E-01 5.2388543650E-01
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xangst70 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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2.4818411083E+00 2.7517214847E+00 4.2387094408E+00
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6.2972087822E-01 3.5984050184E+00 5.2388543650E-01
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3.0745195819E+00 6.3501265031E-01 5.2388543650E-01
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xangst71 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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2.4818411083E+00 2.7517214847E+00 4.2387094408E+00
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6.2972087822E-01 3.5984050184E+00 5.2388543650E-01
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3.0745195819E+00 6.3501265031E-01 5.2388543650E-01
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xangst72 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
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3.0745195819E+00 6.3501265031E-01 1.8574120022E+00
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2.4818411083E+00 1.4816961841E+00 4.2387094408E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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2.4818411083E+00 2.7517214847E+00 1.8574120022E+00
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6.2972087822E-01 3.5984050184E+00 2.9051828752E+00
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1.2223993518E+00 2.7517214847E+00 5.2388543650E-01
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xangst73 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
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3.0745195819E+00 6.3501265031E-01 1.8574120022E+00
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2.4818411083E+00 1.4816961841E+00 4.2387094408E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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2.4818411083E+00 2.7517214847E+00 1.8574120022E+00
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6.2972087822E-01 3.5984050184E+00 2.9051828752E+00
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1.2223993518E+00 2.7517214847E+00 5.2388543650E-01
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xangst74 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
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3.0745195819E+00 6.3501265031E-01 1.8574120022E+00
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2.4818411083E+00 1.4816961841E+00 4.2387094408E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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2.4818411083E+00 2.7517214847E+00 1.8574120022E+00
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6.2972087822E-01 3.5984050184E+00 2.9051828752E+00
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1.2223993518E+00 2.7517214847E+00 5.2388543650E-01
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xangst75 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
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3.0745195819E+00 6.3501265031E-01 1.8574120022E+00
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2.4818411083E+00 1.4816961841E+00 4.2387094408E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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2.4818411083E+00 2.7517214847E+00 1.8574120022E+00
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6.2972087822E-01 3.5984050184E+00 2.9051828752E+00
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1.2223993518E+00 2.7517214847E+00 5.2388543650E-01
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xangst76 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
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3.0745195819E+00 6.3501265031E-01 1.8574120022E+00
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2.4818411083E+00 1.4816961841E+00 4.2387094408E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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2.4818411083E+00 2.7517214847E+00 1.8574120022E+00
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6.2972087822E-01 3.5984050184E+00 2.9051828752E+00
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1.2223993518E+00 2.7517214847E+00 5.2388543650E-01
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xangst77 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
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3.0745195819E+00 6.3501265031E-01 1.8574120022E+00
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2.4818411083E+00 1.4816961841E+00 4.2387094408E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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2.4818411083E+00 2.7517214847E+00 1.8574120022E+00
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6.2972087822E-01 3.5984050184E+00 2.9051828752E+00
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1.2223993518E+00 2.7517214847E+00 5.2388543650E-01
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xangst78 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
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3.0745195819E+00 6.3501265031E-01 1.8574120022E+00
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2.4818411083E+00 1.4816961841E+00 4.2387094408E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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2.4818411083E+00 2.7517214847E+00 1.8574120022E+00
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6.2972087822E-01 3.5984050184E+00 2.9051828752E+00
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1.2223993518E+00 2.7517214847E+00 5.2388543650E-01
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xangst79 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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1.2223993518E+00 3.5984050184E+00 2.9051828752E+00
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3.0745195819E+00 2.7517214847E+00 1.8574120022E+00
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2.4818411083E+00 1.4816961841E+00 4.2387094408E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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2.4818411083E+00 6.3501265031E-01 1.8574120022E+00
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6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
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1.2223993518E+00 2.7517214847E+00 5.2388543650E-01
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xangst80 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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1.2223993518E+00 3.5984050184E+00 2.9051828752E+00
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3.0745195819E+00 2.7517214847E+00 1.8574120022E+00
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2.4818411083E+00 1.4816961841E+00 4.2387094408E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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2.4818411083E+00 6.3501265031E-01 1.8574120022E+00
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6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
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1.2223993518E+00 2.7517214847E+00 5.2388543650E-01
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xangst81 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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1.2223993518E+00 3.5984050184E+00 2.9051828752E+00
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3.0745195819E+00 2.7517214847E+00 1.8574120022E+00
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2.4818411083E+00 1.4816961841E+00 4.2387094408E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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2.4818411083E+00 6.3501265031E-01 1.8574120022E+00
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6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
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1.2223993518E+00 2.7517214847E+00 5.2388543650E-01
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xangst82 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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1.2223993518E+00 3.5984050184E+00 2.9051828752E+00
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3.0745195819E+00 2.7517214847E+00 4.2387094408E+00
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2.4818411083E+00 1.4816961841E+00 1.8574120022E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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2.4818411083E+00 6.3501265031E-01 1.8574120022E+00
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6.2972087822E-01 1.4816961841E+00 5.2388543650E-01
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1.2223993518E+00 2.7517214847E+00 2.9051828752E+00
|
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xangst83 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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|
1.2223993518E+00 3.5984050184E+00 2.9051828752E+00
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3.0745195819E+00 2.7517214847E+00 4.2387094408E+00
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2.4818411083E+00 1.4816961841E+00 1.8574120022E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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2.4818411083E+00 6.3501265031E-01 1.8574120022E+00
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6.2972087822E-01 1.4816961841E+00 5.2388543650E-01
|
|
1.2223993518E+00 2.7517214847E+00 2.9051828752E+00
|
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xangst84 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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|
1.2223993518E+00 3.5984050184E+00 2.9051828752E+00
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3.0745195819E+00 2.7517214847E+00 4.2387094408E+00
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2.4818411083E+00 1.4816961841E+00 1.8574120022E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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2.4818411083E+00 6.3501265031E-01 1.8574120022E+00
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6.2972087822E-01 1.4816961841E+00 5.2388543650E-01
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|
1.2223993518E+00 2.7517214847E+00 2.9051828752E+00
|
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xangst85 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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|
1.2223993518E+00 3.5984050184E+00 2.9051828752E+00
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3.0745195819E+00 2.7517214847E+00 4.2387094408E+00
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2.4818411083E+00 1.4816961841E+00 1.8574120022E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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2.4818411083E+00 6.3501265031E-01 1.8574120022E+00
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6.2972087822E-01 1.4816961841E+00 5.2388543650E-01
|
|
1.2223993518E+00 2.7517214847E+00 2.9051828752E+00
|
|
xangst86 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
|
|
1.2223993518E+00 3.5984050184E+00 2.9051828752E+00
|
|
3.0745195819E+00 2.7517214847E+00 4.2387094408E+00
|
|
2.4818411083E+00 1.4816961841E+00 1.8574120022E+00
|
|
3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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|
2.4818411083E+00 6.3501265031E-01 1.8574120022E+00
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6.2972087822E-01 1.4816961841E+00 5.2388543650E-01
|
|
1.2223993518E+00 2.7517214847E+00 2.9051828752E+00
|
|
xangst87 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
|
|
1.2223993518E+00 3.5984050184E+00 2.9051828752E+00
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|
3.0745195819E+00 2.7517214847E+00 4.2387094408E+00
|
|
2.4818411083E+00 1.4816961841E+00 1.8574120022E+00
|
|
3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
|
|
2.4818411083E+00 6.3501265031E-01 1.8574120022E+00
|
|
6.2972087822E-01 1.4816961841E+00 5.2388543650E-01
|
|
1.2223993518E+00 2.7517214847E+00 2.9051828752E+00
|
|
xangst88 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
|
|
1.2223993518E+00 3.5984050184E+00 2.9051828752E+00
|
|
3.0745195819E+00 2.7517214847E+00 4.2387094408E+00
|
|
2.4818411083E+00 1.4816961841E+00 1.8574120022E+00
|
|
3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
|
|
2.4818411083E+00 6.3501265031E-01 1.8574120022E+00
|
|
6.2972087822E-01 1.4816961841E+00 5.2388543650E-01
|
|
1.2223993518E+00 2.7517214847E+00 2.9051828752E+00
|
|
xcart1 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
|
|
5.8100000000E+00 6.8000000000E+00 9.9000000000E-01
|
|
5.8100000000E+00 1.2000000000E+00 8.0100000000E+00
|
|
1.1900000000E+00 6.8000000000E+00 8.0100000000E+00
|
|
5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
|
|
1.1900000000E+00 1.2000000000E+00 8.0100000000E+00
|
|
1.1900000000E+00 6.8000000000E+00 9.9000000000E-01
|
|
5.8100000000E+00 1.2000000000E+00 9.9000000000E-01
|
|
xcart2 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
|
|
5.8100000000E+00 6.8000000000E+00 9.9000000000E-01
|
|
5.8100000000E+00 1.2000000000E+00 8.0100000000E+00
|
|
1.1900000000E+00 6.8000000000E+00 8.0100000000E+00
|
|
5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
|
|
1.1900000000E+00 1.2000000000E+00 8.0100000000E+00
|
|
1.1900000000E+00 6.8000000000E+00 9.9000000000E-01
|
|
5.8100000000E+00 1.2000000000E+00 9.9000000000E-01
|
|
xcart3 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
|
|
5.8100000000E+00 6.8000000000E+00 9.9000000000E-01
|
|
5.8100000000E+00 1.2000000000E+00 8.0100000000E+00
|
|
1.1900000000E+00 6.8000000000E+00 8.0100000000E+00
|
|
5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
|
|
1.1900000000E+00 1.2000000000E+00 8.0100000000E+00
|
|
1.1900000000E+00 6.8000000000E+00 9.9000000000E-01
|
|
5.8100000000E+00 1.2000000000E+00 9.9000000000E-01
|
|
xcart4 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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4.6900000000E+00 5.2000000000E+00 8.0100000000E+00
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1.1900000000E+00 6.8000000000E+00 9.9000000000E-01
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5.8100000000E+00 1.2000000000E+00 9.9000000000E-01
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xcart71 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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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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2.3100000000E+00 2.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 5.2000000000E+00 8.0100000000E+00
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1.1900000000E+00 6.8000000000E+00 9.9000000000E-01
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5.8100000000E+00 1.2000000000E+00 9.9000000000E-01
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xcart72 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 1.2000000000E+00 3.5100000000E+00
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4.6900000000E+00 2.8000000000E+00 8.0100000000E+00
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5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 5.2000000000E+00 3.5100000000E+00
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1.1900000000E+00 6.8000000000E+00 5.4900000000E+00
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2.3100000000E+00 5.2000000000E+00 9.9000000000E-01
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xcart73 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 1.2000000000E+00 3.5100000000E+00
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4.6900000000E+00 2.8000000000E+00 8.0100000000E+00
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5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 5.2000000000E+00 3.5100000000E+00
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1.1900000000E+00 6.8000000000E+00 5.4900000000E+00
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2.3100000000E+00 5.2000000000E+00 9.9000000000E-01
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xcart74 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 1.2000000000E+00 3.5100000000E+00
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4.6900000000E+00 2.8000000000E+00 8.0100000000E+00
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5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 5.2000000000E+00 3.5100000000E+00
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1.1900000000E+00 6.8000000000E+00 5.4900000000E+00
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2.3100000000E+00 5.2000000000E+00 9.9000000000E-01
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xcart75 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 1.2000000000E+00 3.5100000000E+00
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4.6900000000E+00 2.8000000000E+00 8.0100000000E+00
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5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 5.2000000000E+00 3.5100000000E+00
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1.1900000000E+00 6.8000000000E+00 5.4900000000E+00
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2.3100000000E+00 5.2000000000E+00 9.9000000000E-01
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xcart76 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 1.2000000000E+00 3.5100000000E+00
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4.6900000000E+00 2.8000000000E+00 8.0100000000E+00
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5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 5.2000000000E+00 3.5100000000E+00
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1.1900000000E+00 6.8000000000E+00 5.4900000000E+00
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2.3100000000E+00 5.2000000000E+00 9.9000000000E-01
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xcart77 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 1.2000000000E+00 3.5100000000E+00
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4.6900000000E+00 2.8000000000E+00 8.0100000000E+00
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5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 5.2000000000E+00 3.5100000000E+00
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1.1900000000E+00 6.8000000000E+00 5.4900000000E+00
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2.3100000000E+00 5.2000000000E+00 9.9000000000E-01
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xcart78 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 1.2000000000E+00 3.5100000000E+00
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4.6900000000E+00 2.8000000000E+00 8.0100000000E+00
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5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 5.2000000000E+00 3.5100000000E+00
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1.1900000000E+00 6.8000000000E+00 5.4900000000E+00
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2.3100000000E+00 5.2000000000E+00 9.9000000000E-01
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xcart79 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 6.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 5.2000000000E+00 3.5100000000E+00
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4.6900000000E+00 2.8000000000E+00 8.0100000000E+00
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5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 1.2000000000E+00 3.5100000000E+00
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1.1900000000E+00 2.8000000000E+00 5.4900000000E+00
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2.3100000000E+00 5.2000000000E+00 9.9000000000E-01
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xcart80 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 6.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 5.2000000000E+00 3.5100000000E+00
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4.6900000000E+00 2.8000000000E+00 8.0100000000E+00
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5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 1.2000000000E+00 3.5100000000E+00
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1.1900000000E+00 2.8000000000E+00 5.4900000000E+00
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2.3100000000E+00 5.2000000000E+00 9.9000000000E-01
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xcart81 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 6.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 5.2000000000E+00 3.5100000000E+00
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4.6900000000E+00 2.8000000000E+00 8.0100000000E+00
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5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 1.2000000000E+00 3.5100000000E+00
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1.1900000000E+00 2.8000000000E+00 5.4900000000E+00
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2.3100000000E+00 5.2000000000E+00 9.9000000000E-01
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xcart82 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 6.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 5.2000000000E+00 8.0100000000E+00
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4.6900000000E+00 2.8000000000E+00 3.5100000000E+00
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5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 1.2000000000E+00 3.5100000000E+00
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1.1900000000E+00 2.8000000000E+00 9.9000000000E-01
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2.3100000000E+00 5.2000000000E+00 5.4900000000E+00
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xcart83 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 6.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 5.2000000000E+00 8.0100000000E+00
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4.6900000000E+00 2.8000000000E+00 3.5100000000E+00
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5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 1.2000000000E+00 3.5100000000E+00
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1.1900000000E+00 2.8000000000E+00 9.9000000000E-01
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2.3100000000E+00 5.2000000000E+00 5.4900000000E+00
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xcart84 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 6.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 5.2000000000E+00 8.0100000000E+00
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4.6900000000E+00 2.8000000000E+00 3.5100000000E+00
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5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 1.2000000000E+00 3.5100000000E+00
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1.1900000000E+00 2.8000000000E+00 9.9000000000E-01
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2.3100000000E+00 5.2000000000E+00 5.4900000000E+00
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xcart85 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 6.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 5.2000000000E+00 8.0100000000E+00
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4.6900000000E+00 2.8000000000E+00 3.5100000000E+00
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5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 1.2000000000E+00 3.5100000000E+00
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1.1900000000E+00 2.8000000000E+00 9.9000000000E-01
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2.3100000000E+00 5.2000000000E+00 5.4900000000E+00
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xcart86 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 6.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 5.2000000000E+00 8.0100000000E+00
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4.6900000000E+00 2.8000000000E+00 3.5100000000E+00
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5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 1.2000000000E+00 3.5100000000E+00
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1.1900000000E+00 2.8000000000E+00 9.9000000000E-01
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2.3100000000E+00 5.2000000000E+00 5.4900000000E+00
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xcart87 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 6.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 5.2000000000E+00 8.0100000000E+00
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4.6900000000E+00 2.8000000000E+00 3.5100000000E+00
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5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 1.2000000000E+00 3.5100000000E+00
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1.1900000000E+00 2.8000000000E+00 9.9000000000E-01
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2.3100000000E+00 5.2000000000E+00 5.4900000000E+00
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xcart88 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 6.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 5.2000000000E+00 8.0100000000E+00
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4.6900000000E+00 2.8000000000E+00 3.5100000000E+00
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5.8100000000E+00 6.8000000000E+00 8.0100000000E+00
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4.6900000000E+00 1.2000000000E+00 3.5100000000E+00
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1.1900000000E+00 2.8000000000E+00 9.9000000000E-01
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2.3100000000E+00 5.2000000000E+00 5.4900000000E+00
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8.3000000000E-01 1.5000000000E-01 1.1000000000E-01
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xred3 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
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1.7000000000E-01 8.5000000000E-01 1.1000000000E-01
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8.3000000000E-01 1.5000000000E-01 1.1000000000E-01
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xred4 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
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3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
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6.7000000000E-01 3.5000000000E-01 6.1000000000E-01
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3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
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8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
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6.7000000000E-01 3.5000000000E-01 6.1000000000E-01
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3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
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1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
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8.3000000000E-01 1.5000000000E-01 6.1000000000E-01
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1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
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1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
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3.3000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 8.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
xred79 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 8.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
xred80 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 8.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
xred81 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 8.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
xred82 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
xred83 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
xred84 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
xred85 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
xred86 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
xred87 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
xred88 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
znucl 1.00000
|
|
|
|
================================================================================
|
|
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|
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.
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chkinp: Checking input parameters for consistency, jdtset= 41.
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chkinp: Checking input parameters for consistency, jdtset= 42.
|
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chkinp: Checking input parameters for consistency, jdtset= 43.
|
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chkinp: Checking input parameters for consistency, jdtset= 44.
|
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chkinp: Checking input parameters for consistency, jdtset= 45.
|
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chkinp: Checking input parameters for consistency, jdtset= 46.
|
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chkinp: Checking input parameters for consistency, jdtset= 47.
|
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chkinp: Checking input parameters for consistency, jdtset= 48.
|
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chkinp: Checking input parameters for consistency, jdtset= 49.
|
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chkinp: Checking input parameters for consistency, jdtset= 50.
|
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chkinp: Checking input parameters for consistency, jdtset= 51.
|
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chkinp: Checking input parameters for consistency, jdtset= 52.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 53.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 54.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 55.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 56.
|
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chkinp: Checking input parameters for consistency, jdtset= 57.
|
|
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chkinp: Checking input parameters for consistency, jdtset= 58.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 59.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 60.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 61.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 62.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 63.
|
|
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|
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.
|
|
|
|
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= 11.1 wall= 11.1
|
|
|
|
================================================================================
|
|
|
|
Calculation completed.
|
|
.Delivered 0 WARNINGs and 90 COMMENTs to log file.
|
|
+Overall time at end (sec) : cpu= 11.1 wall= 11.1
|