mirror of https://github.com/abinit/abinit.git
2738 lines
180 KiB
Plaintext
2738 lines
180 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 20h05 )
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- input file -> /home/buildbot/ABINIT3/eos_gnu_13.2_mpich/trunk_gonze-10.2/tests/Test_suite/v3_t32/t32.abi
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- output file -> t32.abo
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- root for input files -> t32i
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- root for output files -> t32o
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DATASET 1 : magnetic group, Shubnikov type IV
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Fedorov space group P1 (# 1)
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Magnetic Bravais lattice aP_s (primitive triclinic, simple magnetic, #2)
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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 = 8 mpssoang = 1 mqgrid = 3001
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natom = 2 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 2 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 2 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 512 nkpt = 1
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================================================================================
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P This job should need less than 1.391 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
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================================================================================
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DATASET 2 : magnetic group, Shubnikov type IV
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Fedorov space group P-1 (# 2)
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Magnetic Bravais lattice aP_s (primitive triclinic, simple magnetic, #2)
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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 = 8 mpssoang = 1 mqgrid = 3001
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natom = 4 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 512 nkpt = 1
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================================================================================
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P This job should need less than 1.399 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
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================================================================================
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DATASET 3 : magnetic group, Shubnikov type IV
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Fedorov space group P2 (# 3)
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Magnetic Bravais lattice mP_a (primitive monocl., a-magnetic, #5)
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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 = 4 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.454 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 4 : magnetic group, Shubnikov type IV
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Fedorov space group P2 (# 3)
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Magnetic Bravais lattice mP_b (primitive monocl., b-magnetic, #4)
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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 = 4 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.454 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 5 : magnetic group, Shubnikov type IV
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Fedorov space group P2 (# 3)
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Magnetic Bravais lattice mP_C (primitive monocl., C-magnetic, #6)
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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 = 4 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.454 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 6 : magnetic group, Shubnikov type IV
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Fedorov space group P2_1 (# 4)
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Magnetic Bravais lattice mP_a (primitive monocl., a-magnetic, #5)
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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 = 4 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.454 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 7 : magnetic group, Shubnikov type IV
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Fedorov space group P2_1 (# 4)
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Magnetic Bravais lattice mP_b (primitive monocl., b-magnetic, #4)
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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 = 4 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.454 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 8 : magnetic group, Shubnikov type IV
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Fedorov space group P2_1 (# 4)
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Magnetic Bravais lattice mP_C (primitive monocl., C-magnetic, #6)
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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 = 4 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.454 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 9 : magnetic group, Shubnikov type IV
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Fedorov space group C2 (# 5)
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Magnetic Bravais lattice mC_c (C-face-center monocl., c-magnetic, #8)
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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 = 8 mpssoang = 1 mqgrid = 3001
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natom = 4 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 6 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 1.303 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
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================================================================================
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DATASET 10 : magnetic group, Shubnikov type IV
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Fedorov space group C2 (# 5)
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Magnetic Bravais lattice mC_a (C-face-center monocl., a-magnetic, #9)
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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 = 8 mpssoang = 1 mqgrid = 3001
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natom = 4 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 6 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 1.303 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
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================================================================================
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DATASET 11 : magnetic group, Shubnikov type IV
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Fedorov space group Pm (# 6)
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Magnetic Bravais lattice mP_a (primitive monocl., a-magnetic, #5)
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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 = 4 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.454 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 12 : magnetic group, Shubnikov type IV
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Fedorov space group Pm (# 6)
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Magnetic Bravais lattice mP_b (primitive monocl., b-magnetic, #4)
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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 = 4 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.454 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 13 : magnetic group, Shubnikov type IV
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Fedorov space group Pm (# 6)
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Magnetic Bravais lattice mP_C (primitive monocl., C-magnetic, #6)
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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 = 4 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.454 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 14 : magnetic group, Shubnikov type IV
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Fedorov space group Pc (# 7)
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Magnetic Bravais lattice mP_a (primitive monocl., a-magnetic, #5)
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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 = 4 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.454 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 15 : magnetic group, Shubnikov type IV
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Fedorov space group Pc (# 7)
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Magnetic Bravais lattice mP_c (primitive monocl., c-magnetic, #5)
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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 = 4 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.454 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 16 : magnetic group, Shubnikov type IV
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Fedorov space group Pc (# 7)
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Magnetic Bravais lattice mP_b (primitive monocl., b-magnetic, #4)
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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 = 4 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 1.454 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 17 : magnetic group, Shubnikov type IV
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Fedorov space group Pc (# 7)
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Magnetic Bravais lattice mP_C (primitive monocl., C-magnetic, #6)
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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 = 4 nloc_mem = 1 nspden = 2 nspinor = 1
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|
nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
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|
occopt = 7 xclevel = 1
|
|
- mband = 4 mffmem = 1 mkmem = 1
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|
mpw = 12 nfft = 640 nkpt = 1
|
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================================================================================
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P This job should need less than 1.454 Mbytes of memory.
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|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 18 : magnetic group, Shubnikov type IV
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Fedorov space group Pc (# 7)
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Magnetic Bravais lattice mP_A (primitive monocl., A-magnetic, #6)
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================================================================================
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Values of the parameters that define the memory need for DATASET 18.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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|
natom = 4 nloc_mem = 1 nspden = 2 nspinor = 1
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|
nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
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|
occopt = 7 xclevel = 1
|
|
- mband = 4 mffmem = 1 mkmem = 1
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|
mpw = 12 nfft = 640 nkpt = 1
|
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================================================================================
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P This job should need less than 1.454 Mbytes of memory.
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|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
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================================================================================
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DATASET 19 : magnetic group, Shubnikov type IV
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Fedorov space group Cm (# 8)
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Magnetic Bravais lattice mC_c (C-face-center monocl., c-magnetic, #8)
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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 = 8 mpssoang = 1 mqgrid = 3001
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natom = 4 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 6 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 1.303 Mbytes of memory.
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|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
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================================================================================
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DATASET 20 : magnetic group, Shubnikov type IV
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Fedorov space group Cm (# 8)
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Magnetic Bravais lattice mC_a (C-face-center monocl., a-magnetic, #9)
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================================================================================
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Values of the parameters that define the memory need for DATASET 20.
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|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
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|
natom = 4 nloc_mem = 1 nspden = 2 nspinor = 1
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|
nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
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|
occopt = 7 xclevel = 1
|
|
- mband = 4 mffmem = 1 mkmem = 1
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|
mpw = 6 nfft = 288 nkpt = 1
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|
================================================================================
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|
P This job should need less than 1.303 Mbytes of memory.
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|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
|
|
================================================================================
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|
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DATASET 21 : magnetic group, Shubnikov type IV
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Fedorov space group Cc (# 9)
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Magnetic Bravais lattice mC_c (C-face-center monocl., c-magnetic, #8)
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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 = 8 mpssoang = 1 mqgrid = 3001
|
|
natom = 4 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 4 mffmem = 1 mkmem = 1
|
|
mpw = 6 nfft = 288 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.303 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 22 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Cc (# 9)
|
|
Magnetic Bravais lattice mC_a (C-face-center monocl., a-magnetic, #9)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 22.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
|
|
natom = 4 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 4 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 4 mffmem = 1 mkmem = 1
|
|
mpw = 6 nfft = 288 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.303 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 23 : magnetic group, Shubnikov type IV
|
|
Fedorov space group P2/m (# 10)
|
|
Magnetic Bravais lattice mP_a (primitive monocl., a-magnetic, #5)
|
|
================================================================================
|
|
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 = 12 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.473 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 24 : magnetic group, Shubnikov type IV
|
|
Fedorov space group P2/m (# 10)
|
|
Magnetic Bravais lattice mP_b (primitive monocl., b-magnetic, #4)
|
|
================================================================================
|
|
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 = 12 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.473 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 25 : magnetic group, Shubnikov type IV
|
|
Fedorov space group P2/m (# 10)
|
|
Magnetic Bravais lattice mP_C (primitive monocl., C-magnetic, #6)
|
|
================================================================================
|
|
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 = 12 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.473 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 26 : magnetic group, Shubnikov type IV
|
|
Fedorov space group P2_1/m (# 11)
|
|
Magnetic Bravais lattice mP_a (primitive monocl., a-magnetic, #5)
|
|
================================================================================
|
|
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 = 12 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.473 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 27 : magnetic group, Shubnikov type IV
|
|
Fedorov space group P2_1/m (# 11)
|
|
Magnetic Bravais lattice mP_b (primitive monocl., b-magnetic, #4)
|
|
================================================================================
|
|
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 = 12 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.473 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 28 : magnetic group, Shubnikov type IV
|
|
Fedorov space group P2_1/m (# 11)
|
|
Magnetic Bravais lattice mP_C (primitive monocl., C-magnetic, #6)
|
|
================================================================================
|
|
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 = 12 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.473 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 29 : magnetic group, Shubnikov type IV
|
|
Fedorov space group C2/m (# 12)
|
|
Magnetic Bravais lattice mC_c (C-face-center monocl., c-magnetic, #8)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 29.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 6 nfft = 288 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.320 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 30 : magnetic group, Shubnikov type IV
|
|
Fedorov space group C2/m (# 12)
|
|
Magnetic Bravais lattice mC_a (C-face-center monocl., a-magnetic, #9)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 30.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 6 nfft = 288 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.320 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 31 : magnetic group, Shubnikov type IV
|
|
Fedorov space group P2/c (# 13)
|
|
Magnetic Bravais lattice mP_a (primitive monocl., a-magnetic, #5)
|
|
================================================================================
|
|
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 = 12 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.473 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 32 : magnetic group, Shubnikov type IV
|
|
Fedorov space group P2/c (# 13)
|
|
Magnetic Bravais lattice mP_b (primitive monocl., b-magnetic, #4)
|
|
================================================================================
|
|
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 = 12 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.473 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 33 : magnetic group, Shubnikov type IV
|
|
Fedorov space group P2/c (# 13)
|
|
Magnetic Bravais lattice mP_c (primitive monocl., c-magnetic, #5)
|
|
================================================================================
|
|
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 = 12 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.473 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 34 : magnetic group, Shubnikov type IV
|
|
Fedorov space group P2/c (# 13)
|
|
Magnetic Bravais lattice mP_A (primitive monocl., A-magnetic, #6)
|
|
================================================================================
|
|
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 = 12 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.473 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 35 : magnetic group, Shubnikov type IV
|
|
Fedorov space group P2/c (# 13)
|
|
Magnetic Bravais lattice mP_C (primitive monocl., C-magnetic, #6)
|
|
================================================================================
|
|
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 = 12 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.473 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 36 : magnetic group, Shubnikov type IV
|
|
Fedorov space group P2_1/c (# 14)
|
|
Magnetic Bravais lattice mP_a (primitive monocl., a-magnetic, #5)
|
|
================================================================================
|
|
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 = 12 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.473 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 37 : magnetic group, Shubnikov type IV
|
|
Fedorov space group P2_1/c (# 14)
|
|
Magnetic Bravais lattice mP_b (primitive monocl., b-magnetic, #4)
|
|
================================================================================
|
|
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 = 12 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.473 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 38 : magnetic group, Shubnikov type IV
|
|
Fedorov space group P2_1/c (# 14)
|
|
Magnetic Bravais lattice mP_c (primitive monocl., c-magnetic, #5)
|
|
================================================================================
|
|
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 = 12 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.473 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 39 : magnetic group, Shubnikov type IV
|
|
Fedorov space group P2_1/c (# 14)
|
|
Magnetic Bravais lattice mP_A (primitive monocl., A-magnetic, #6)
|
|
================================================================================
|
|
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 = 12 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.473 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 40 : magnetic group, Shubnikov type IV
|
|
Fedorov space group P2_1/c (# 14)
|
|
Magnetic Bravais lattice mP_C (primitive monocl., C-magnetic, #6)
|
|
================================================================================
|
|
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 = 12 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.473 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 41 : magnetic group, Shubnikov type IV
|
|
Fedorov space group C2/c (# 15)
|
|
Magnetic Bravais lattice mC_c (C-face-center monocl., c-magnetic, #8)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 41.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 6 nfft = 288 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.320 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 42 : magnetic group, Shubnikov type IV
|
|
Fedorov space group C2/c (# 15)
|
|
Magnetic Bravais lattice mC_a (C-face-center monocl., a-magnetic, #9)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 42.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
|
|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 6 nfft = 288 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.320 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
|
|
================================================================================
|
|
|
|
--------------------------------------------------------------------------------
|
|
------------- Echo of variables that govern the present computation ------------
|
|
--------------------------------------------------------------------------------
|
|
-
|
|
- outvars: echo of selected default values
|
|
- iomode0 = 0 , fftalg0 =512 , wfoptalg0 = 0
|
|
-
|
|
- outvars: echo of global parameters not present in the input file
|
|
- max_nthreads = 0
|
|
-
|
|
-outvars: echo values of preprocessed input variables --------
|
|
acell1 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell2 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell3 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell4 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell5 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell6 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell7 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell8 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell9 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell10 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell11 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell12 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell13 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell14 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell15 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell16 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell17 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell18 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell19 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell20 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell21 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell22 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell23 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell24 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell25 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell26 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell27 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell28 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell29 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell30 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell31 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell32 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell33 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell34 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell35 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell36 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell37 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell38 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell39 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell40 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell41 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell42 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
amu 1.00794000E+00
|
|
ecut 1.00000000E+00 Hartree
|
|
- fftalg 512
|
|
istwfk 2
|
|
jdtset 1 2 3 4 5 6 7 8 9 10
|
|
11 12 13 14 15 16 17 18 19 20
|
|
21 22 23 24 25 26 27 28 29 30
|
|
31 32 33 34 35 36 37 38 39 40
|
|
41 42
|
|
kptopt 0
|
|
P mkmem 1
|
|
natom1 2
|
|
natom2 4
|
|
natom3 4
|
|
natom4 4
|
|
natom5 4
|
|
natom6 4
|
|
natom7 4
|
|
natom8 4
|
|
natom9 4
|
|
natom10 4
|
|
natom11 4
|
|
natom12 4
|
|
natom13 4
|
|
natom14 4
|
|
natom15 4
|
|
natom16 4
|
|
natom17 4
|
|
natom18 4
|
|
natom19 4
|
|
natom20 4
|
|
natom21 4
|
|
natom22 4
|
|
natom23 8
|
|
natom24 8
|
|
natom25 8
|
|
natom26 8
|
|
natom27 8
|
|
natom28 8
|
|
natom29 8
|
|
natom30 8
|
|
natom31 8
|
|
natom32 8
|
|
natom33 8
|
|
natom34 8
|
|
natom35 8
|
|
natom36 8
|
|
natom37 8
|
|
natom38 8
|
|
natom39 8
|
|
natom40 8
|
|
natom41 8
|
|
natom42 8
|
|
nband1 2
|
|
nband2 4
|
|
nband3 4
|
|
nband4 4
|
|
nband5 4
|
|
nband6 4
|
|
nband7 4
|
|
nband8 4
|
|
nband9 4
|
|
nband10 4
|
|
nband11 4
|
|
nband12 4
|
|
nband13 4
|
|
nband14 4
|
|
nband15 4
|
|
nband16 4
|
|
nband17 4
|
|
nband18 4
|
|
nband19 4
|
|
nband20 4
|
|
nband21 4
|
|
nband22 4
|
|
nband23 8
|
|
nband24 8
|
|
nband25 8
|
|
nband26 8
|
|
nband27 8
|
|
nband28 8
|
|
nband29 8
|
|
nband30 8
|
|
nband31 8
|
|
nband32 8
|
|
nband33 8
|
|
nband34 8
|
|
nband35 8
|
|
nband36 8
|
|
nband37 8
|
|
nband38 8
|
|
nband39 8
|
|
nband40 8
|
|
nband41 8
|
|
nband42 8
|
|
ndtset 42
|
|
ngfft1 8 8 8
|
|
ngfft2 8 8 8
|
|
ngfft3 8 8 10
|
|
ngfft4 8 8 10
|
|
ngfft5 8 8 10
|
|
ngfft6 8 8 10
|
|
ngfft7 8 8 10
|
|
ngfft8 8 8 10
|
|
ngfft9 6 6 8
|
|
ngfft10 6 6 8
|
|
ngfft11 8 8 10
|
|
ngfft12 8 8 10
|
|
ngfft13 8 8 10
|
|
ngfft14 8 8 10
|
|
ngfft15 8 8 10
|
|
ngfft16 8 8 10
|
|
ngfft17 8 8 10
|
|
ngfft18 8 8 10
|
|
ngfft19 6 6 8
|
|
ngfft20 6 6 8
|
|
ngfft21 6 6 8
|
|
ngfft22 6 6 8
|
|
ngfft23 8 8 10
|
|
ngfft24 8 8 10
|
|
ngfft25 8 8 10
|
|
ngfft26 8 8 10
|
|
ngfft27 8 8 10
|
|
ngfft28 8 8 10
|
|
ngfft29 6 6 8
|
|
ngfft30 6 6 8
|
|
ngfft31 8 8 10
|
|
ngfft32 8 8 10
|
|
ngfft33 8 8 10
|
|
ngfft34 8 8 10
|
|
ngfft35 8 8 10
|
|
ngfft36 8 8 10
|
|
ngfft37 8 8 10
|
|
ngfft38 8 8 10
|
|
ngfft39 8 8 10
|
|
ngfft40 8 8 10
|
|
ngfft41 6 6 8
|
|
ngfft42 6 6 8
|
|
nkpt 1
|
|
nline 1
|
|
nspden 2
|
|
nsppol 2
|
|
nstep 1
|
|
nsym1 2
|
|
nsym2 4
|
|
nsym3 4
|
|
nsym4 4
|
|
nsym5 4
|
|
nsym6 4
|
|
nsym7 4
|
|
nsym8 4
|
|
nsym9 4
|
|
nsym10 4
|
|
nsym11 4
|
|
nsym12 4
|
|
nsym13 4
|
|
nsym14 4
|
|
nsym15 4
|
|
nsym16 4
|
|
nsym17 4
|
|
nsym18 4
|
|
nsym19 4
|
|
nsym20 4
|
|
nsym21 4
|
|
nsym22 4
|
|
nsym23 8
|
|
nsym24 8
|
|
nsym25 8
|
|
nsym26 8
|
|
nsym27 8
|
|
nsym28 8
|
|
nsym29 8
|
|
nsym30 8
|
|
nsym31 8
|
|
nsym32 8
|
|
nsym33 8
|
|
nsym34 8
|
|
nsym35 8
|
|
nsym36 8
|
|
nsym37 8
|
|
nsym38 8
|
|
nsym39 8
|
|
nsym40 8
|
|
nsym41 8
|
|
nsym42 8
|
|
ntypat 1
|
|
occ1 1.000000 0.000000
|
|
1.000000 0.000000
|
|
occ2 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ3 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ4 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ5 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ6 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ7 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ8 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ9 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ10 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ11 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ12 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ13 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ14 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ15 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ16 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ17 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ18 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ19 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ20 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ21 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ22 1.000000 1.000000 0.000000 0.000000
|
|
1.000000 1.000000 0.000000 0.000000
|
|
occ23 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
|
|
occ24 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
|
|
occ25 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
|
|
occ26 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
|
|
occ27 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
|
|
occ28 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
|
|
occ29 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
|
|
occ30 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
|
|
occ31 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
|
|
occ32 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
|
|
occ33 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
|
|
occ34 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
|
|
occ35 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
|
|
occ36 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
|
|
occ37 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
|
|
occ38 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
|
|
occ39 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
|
|
occ40 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
|
|
occ41 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
|
|
occ42 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
|
|
rprim1 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
8.7155742748E-02 9.9619469809E-01 0.0000000000E+00
|
|
1.7364817767E-01 3.2813435772E-01 9.2853333471E-01
|
|
rprim2 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
8.7155742748E-02 9.9619469809E-01 0.0000000000E+00
|
|
1.7364817767E-01 3.2813435772E-01 9.2853333471E-01
|
|
rprim3 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
1.7364817767E-01 5.0599455709E-17 9.8480775301E-01
|
|
rprim4 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
1.7364817767E-01 5.0599455709E-17 9.8480775301E-01
|
|
rprim5 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
1.7364817767E-01 5.0599455709E-17 9.8480775301E-01
|
|
rprim6 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
1.7364817767E-01 5.0599455709E-17 9.8480775301E-01
|
|
rprim7 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
1.7364817767E-01 5.0599455709E-17 9.8480775301E-01
|
|
rprim8 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
1.7364817767E-01 5.0599455709E-17 9.8480775301E-01
|
|
rprim9 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
|
|
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
|
|
1.5628335990E+00 4.5539510139E-16 8.8632697771E+00
|
|
rprim10 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
|
|
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
|
|
1.5628335990E+00 4.5539510139E-16 8.8632697771E+00
|
|
rprim11 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
1.7364817767E-01 5.0599455709E-17 9.8480775301E-01
|
|
rprim12 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
1.7364817767E-01 5.0599455709E-17 9.8480775301E-01
|
|
rprim13 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
1.7364817767E-01 5.0599455709E-17 9.8480775301E-01
|
|
rprim14 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
1.7364817767E-01 5.0599455709E-17 9.8480775301E-01
|
|
rprim15 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
1.7364817767E-01 5.0599455709E-17 9.8480775301E-01
|
|
rprim16 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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spinat33 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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spinat34 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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spinat35 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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spinat36 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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spinat37 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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spinat38 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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spinat39 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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spinat40 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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spinat41 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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spinat42 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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-0.0000000000E+00 -0.0000000000E+00 -1.0000000000E+00
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symafm1 1 -1
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symafm2 1 1 -1 -1
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symafm3 1 1 -1 -1
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symafm4 1 1 -1 -1
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symafm5 1 1 -1 -1
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symafm6 1 1 -1 -1
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symafm7 1 1 -1 -1
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symafm8 1 1 -1 -1
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symafm9 1 1 -1 -1
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symafm10 1 1 -1 -1
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symafm11 1 1 -1 -1
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symafm12 1 1 -1 -1
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symafm13 1 1 -1 -1
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symafm14 1 1 -1 -1
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symafm15 1 1 -1 -1
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symafm16 1 1 -1 -1
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symafm17 1 1 -1 -1
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symafm18 1 1 -1 -1
|
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symafm19 1 1 -1 -1
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symafm20 1 1 -1 -1
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symafm21 1 1 -1 -1
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symafm22 1 1 -1 -1
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symafm23 1 1 1 1 -1 -1 -1 -1
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symafm24 1 1 1 1 -1 -1 -1 -1
|
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symafm25 1 1 1 1 -1 -1 -1 -1
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symafm26 1 1 1 1 -1 -1 -1 -1
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symafm27 1 1 1 1 -1 -1 -1 -1
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symafm28 1 1 1 1 -1 -1 -1 -1
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symafm29 1 1 1 1 -1 -1 -1 -1
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symafm30 1 1 1 1 -1 -1 -1 -1
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symafm31 1 1 1 1 -1 -1 -1 -1
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symafm32 1 1 1 1 -1 -1 -1 -1
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symafm33 1 1 1 1 -1 -1 -1 -1
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symafm34 1 1 1 1 -1 -1 -1 -1
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symafm35 1 1 1 1 -1 -1 -1 -1
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symafm36 1 1 1 1 -1 -1 -1 -1
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symafm37 1 1 1 1 -1 -1 -1 -1
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symafm38 1 1 1 1 -1 -1 -1 -1
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symafm39 1 1 1 1 -1 -1 -1 -1
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symafm40 1 1 1 1 -1 -1 -1 -1
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symafm41 1 1 1 1 -1 -1 -1 -1
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symafm42 1 1 1 1 -1 -1 -1 -1
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symrel1 1 0 0 0 1 0 0 0 1 1 0 0 0 1 0 0 0 1
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symrel2 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 -1
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symrel3 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
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symrel4 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
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symrel5 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
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symrel6 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
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symrel7 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
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symrel8 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
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symrel9 1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 -1
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1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 -1
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symrel10 1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 -1
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1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 -1
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symrel11 1 0 0 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 1
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1 0 0 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 1
|
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symrel12 1 0 0 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 1
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1 0 0 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 1
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symrel13 1 0 0 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 1
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1 0 0 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 1
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symrel14 1 0 0 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 1
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1 0 0 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 1
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symrel15 1 0 0 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 1
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1 0 0 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 1
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symrel16 1 0 0 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 1
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1 0 0 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 1
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symrel17 1 0 0 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 1
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1 0 0 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 1
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symrel18 1 0 0 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 1
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1 0 0 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 1
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symrel19 1 0 0 0 1 0 0 0 1 0 -1 0 -1 0 0 0 0 1
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1 0 0 0 1 0 0 0 1 0 -1 0 -1 0 0 0 0 1
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symrel20 1 0 0 0 1 0 0 0 1 0 -1 0 -1 0 0 0 0 1
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1 0 0 0 1 0 0 0 1 0 -1 0 -1 0 0 0 0 1
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symrel21 1 0 0 0 1 0 0 0 1 0 -1 0 -1 0 0 0 0 1
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1 0 0 0 1 0 0 0 1 0 -1 0 -1 0 0 0 0 1
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symrel22 1 0 0 0 1 0 0 0 1 0 -1 0 -1 0 0 0 0 1
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1 0 0 0 1 0 0 0 1 0 -1 0 -1 0 0 0 0 1
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symrel23 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
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symrel24 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
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symrel25 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
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symrel26 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
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symrel27 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
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symrel28 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
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symrel29 1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 -1
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-1 0 0 0 -1 0 0 0 -1 0 -1 0 -1 0 0 0 0 1
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1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 0 -1 0 -1 0 0 0 0 1
|
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symrel30 1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 -1
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-1 0 0 0 -1 0 0 0 -1 0 -1 0 -1 0 0 0 0 1
|
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1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 0 -1 0 -1 0 0 0 0 1
|
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symrel31 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
|
-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
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symrel32 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
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symrel33 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
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symrel34 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
|
-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
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symrel35 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
|
-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
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symrel36 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
|
-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
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symrel37 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
|
-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
|
1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
|
-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
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symrel38 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
|
-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
|
-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
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symrel39 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
|
-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
|
-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
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symrel40 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
|
-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
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1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 -1
|
|
-1 0 0 0 -1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
|
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symrel41 1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 0 -1 0 -1 0 0 0 0 1
|
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1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 -1
|
|
-1 0 0 0 -1 0 0 0 -1 0 -1 0 -1 0 0 0 0 1
|
|
symrel42 1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 -1
|
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-1 0 0 0 -1 0 0 0 -1 0 -1 0 -1 0 0 0 0 1
|
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1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 -1
|
|
-1 0 0 0 -1 0 0 0 -1 0 -1 0 -1 0 0 0 0 1
|
|
tnons1 0.0000000 0.0000000 0.0000000 0.5000000 0.0000000 0.0000000
|
|
tnons2 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000
|
|
0.5000000 0.0000000 0.0000000 0.5000000 0.0000000 0.0000000
|
|
tnons3 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
|
|
0.5000000 0.0000000 0.0000000 0.5000000 0.0000000 0.0000000
|
|
tnons4 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
|
|
0.0000000 0.5000000 0.0000000 0.0000000 0.5000000 0.0000000
|
|
tnons5 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
|
|
0.5000000 0.5000000 0.0000000 0.5000000 0.5000000 0.0000000
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tnons6 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000 0.0000000
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|
0.5000000 0.0000000 0.0000000 0.5000000 0.5000000 0.0000000
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tnons7 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000 0.0000000
|
|
0.0000000 0.5000000 0.0000000 0.0000000 1.0000000 0.0000000
|
|
tnons8 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000 0.0000000
|
|
0.5000000 0.5000000 0.0000000 0.5000000 1.0000000 0.0000000
|
|
tnons9 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
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-0.0000000 -0.0000000 0.5000000 -0.0000000 -0.0000000 0.5000000
|
|
tnons10 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
|
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0.5000000 0.5000000 0.0000000 0.5000000 0.5000000 0.0000000
|
|
tnons11 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
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0.5000000 0.0000000 0.0000000 0.5000000 0.0000000 0.0000000
|
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tnons12 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
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|
0.0000000 0.5000000 0.0000000 0.0000000 0.5000000 0.0000000
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tnons13 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
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0.5000000 0.5000000 0.0000000 0.5000000 0.5000000 0.0000000
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tnons14 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000
|
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0.5000000 0.0000000 0.0000000 0.5000000 0.0000000 0.5000000
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tnons15 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000
|
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0.0000000 0.0000000 0.5000000 0.0000000 0.0000000 1.0000000
|
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tnons16 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000
|
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0.0000000 0.5000000 0.0000000 0.0000000 0.5000000 0.5000000
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tnons17 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000
|
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0.5000000 0.5000000 0.0000000 0.5000000 0.5000000 0.5000000
|
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tnons18 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000
|
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0.0000000 0.5000000 0.5000000 0.0000000 0.5000000 1.0000000
|
|
tnons19 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
|
|
-0.0000000 -0.0000000 0.5000000 -0.0000000 -0.0000000 0.5000000
|
|
tnons20 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
|
|
0.5000000 0.5000000 0.0000000 0.5000000 0.5000000 0.0000000
|
|
tnons21 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.5000000
|
|
-0.0000000 -0.0000000 0.5000000 -0.0000000 -0.0000000 -0.0000000
|
|
tnons22 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.5000000
|
|
0.5000000 0.5000000 0.0000000 0.5000000 0.5000000 0.5000000
|
|
tnons23 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
|
|
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
|
|
0.5000000 0.0000000 0.0000000 0.5000000 0.0000000 0.0000000
|
|
0.5000000 0.0000000 0.0000000 0.5000000 0.0000000 0.0000000
|
|
tnons24 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
|
|
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
|
|
0.0000000 0.5000000 0.0000000 0.0000000 0.5000000 0.0000000
|
|
0.0000000 0.5000000 0.0000000 0.0000000 0.5000000 0.0000000
|
|
tnons25 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
|
|
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
|
|
0.5000000 0.5000000 0.0000000 0.5000000 0.5000000 0.0000000
|
|
0.5000000 0.5000000 0.0000000 0.5000000 0.5000000 0.0000000
|
|
tnons26 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000 0.0000000
|
|
0.0000000 0.0000000 0.0000000 0.0000000 0.5000000 0.0000000
|
|
0.5000000 0.0000000 0.0000000 0.5000000 0.5000000 0.0000000
|
|
0.5000000 0.0000000 0.0000000 0.5000000 0.5000000 0.0000000
|
|
tnons27 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000 0.0000000
|
|
0.0000000 0.0000000 0.0000000 0.0000000 0.5000000 0.0000000
|
|
0.0000000 0.5000000 0.0000000 0.0000000 1.0000000 0.0000000
|
|
0.0000000 0.5000000 0.0000000 0.0000000 1.0000000 0.0000000
|
|
tnons28 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000 0.0000000
|
|
0.0000000 0.0000000 0.0000000 0.0000000 0.5000000 0.0000000
|
|
0.5000000 0.5000000 0.0000000 0.5000000 1.0000000 0.0000000
|
|
0.5000000 0.5000000 0.0000000 0.5000000 1.0000000 0.0000000
|
|
tnons29 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
|
|
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
|
|
-0.0000000 -0.0000000 0.5000000 -0.0000000 -0.0000000 0.5000000
|
|
-0.0000000 -0.0000000 0.5000000 -0.0000000 -0.0000000 0.5000000
|
|
tnons30 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
|
|
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
|
|
0.5000000 0.5000000 0.0000000 0.5000000 0.5000000 0.0000000
|
|
0.5000000 0.5000000 0.0000000 0.5000000 0.5000000 0.0000000
|
|
tnons31 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000
|
|
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000
|
|
0.5000000 0.0000000 0.0000000 0.5000000 0.0000000 0.5000000
|
|
0.5000000 0.0000000 0.0000000 0.5000000 0.0000000 0.5000000
|
|
tnons32 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000
|
|
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000
|
|
0.0000000 0.5000000 0.0000000 0.0000000 0.5000000 0.5000000
|
|
0.0000000 0.5000000 0.0000000 0.0000000 0.5000000 0.5000000
|
|
tnons33 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000
|
|
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000
|
|
0.0000000 0.0000000 0.5000000 0.0000000 0.0000000 1.0000000
|
|
0.0000000 0.0000000 0.5000000 0.0000000 0.0000000 1.0000000
|
|
tnons34 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000
|
|
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000
|
|
0.0000000 0.5000000 0.5000000 0.0000000 0.5000000 1.0000000
|
|
0.0000000 0.5000000 0.5000000 0.0000000 0.5000000 1.0000000
|
|
tnons35 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000
|
|
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000
|
|
0.5000000 0.5000000 0.0000000 0.5000000 0.5000000 0.5000000
|
|
0.5000000 0.5000000 0.0000000 0.5000000 0.5000000 0.5000000
|
|
tnons36 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000 0.5000000
|
|
0.0000000 0.0000000 0.0000000 0.0000000 0.5000000 0.5000000
|
|
0.5000000 0.0000000 0.0000000 0.5000000 0.5000000 0.5000000
|
|
0.5000000 0.0000000 0.0000000 0.5000000 0.5000000 0.5000000
|
|
tnons37 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000 0.5000000
|
|
0.0000000 0.0000000 0.0000000 0.0000000 0.5000000 0.5000000
|
|
0.0000000 0.5000000 0.0000000 0.0000000 1.0000000 0.5000000
|
|
0.0000000 0.5000000 0.0000000 0.0000000 1.0000000 0.5000000
|
|
tnons38 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000 0.5000000
|
|
0.0000000 0.0000000 0.0000000 0.0000000 0.5000000 0.5000000
|
|
0.0000000 0.0000000 0.5000000 0.0000000 0.5000000 1.0000000
|
|
0.0000000 0.0000000 0.5000000 0.0000000 0.5000000 1.0000000
|
|
tnons39 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000 0.5000000
|
|
0.0000000 0.0000000 0.0000000 0.0000000 0.5000000 0.5000000
|
|
0.0000000 0.5000000 0.5000000 0.0000000 1.0000000 1.0000000
|
|
0.0000000 0.5000000 0.5000000 0.0000000 1.0000000 1.0000000
|
|
tnons40 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000 0.5000000
|
|
0.0000000 0.0000000 0.0000000 0.0000000 0.5000000 0.5000000
|
|
0.5000000 0.5000000 0.0000000 0.5000000 1.0000000 0.5000000
|
|
0.5000000 0.5000000 0.0000000 0.5000000 1.0000000 0.5000000
|
|
tnons41 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.5000000
|
|
0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.5000000
|
|
-0.0000000 -0.0000000 0.5000000 -0.0000000 -0.0000000 -0.0000000
|
|
-0.0000000 -0.0000000 0.5000000 -0.0000000 -0.0000000 -0.0000000
|
|
tnons42 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.5000000
|
|
0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.5000000
|
|
0.5000000 0.5000000 0.0000000 0.5000000 0.5000000 0.5000000
|
|
0.5000000 0.5000000 0.0000000 0.5000000 0.5000000 0.5000000
|
|
toldfe 1.00000000E-06 Hartree
|
|
typat1 1 1
|
|
typat2 1 1 1 1
|
|
typat3 1 1 1 1
|
|
typat4 1 1 1 1
|
|
typat5 1 1 1 1
|
|
typat6 1 1 1 1
|
|
typat7 1 1 1 1
|
|
typat8 1 1 1 1
|
|
typat9 1 1 1 1
|
|
typat10 1 1 1 1
|
|
typat11 1 1 1 1
|
|
typat12 1 1 1 1
|
|
typat13 1 1 1 1
|
|
typat14 1 1 1 1
|
|
typat15 1 1 1 1
|
|
typat16 1 1 1 1
|
|
typat17 1 1 1 1
|
|
typat18 1 1 1 1
|
|
typat19 1 1 1 1
|
|
typat20 1 1 1 1
|
|
typat21 1 1 1 1
|
|
typat22 1 1 1 1
|
|
typat23 1 1 1 1 1 1 1 1
|
|
typat24 1 1 1 1 1 1 1 1
|
|
typat25 1 1 1 1 1 1 1 1
|
|
typat26 1 1 1 1 1 1 1 1
|
|
typat27 1 1 1 1 1 1 1 1
|
|
typat28 1 1 1 1 1 1 1 1
|
|
typat29 1 1 1 1 1 1 1 1
|
|
typat30 1 1 1 1 1 1 1 1
|
|
typat31 1 1 1 1 1 1 1 1
|
|
typat32 1 1 1 1 1 1 1 1
|
|
typat33 1 1 1 1 1 1 1 1
|
|
typat34 1 1 1 1 1 1 1 1
|
|
typat35 1 1 1 1 1 1 1 1
|
|
typat36 1 1 1 1 1 1 1 1
|
|
typat37 1 1 1 1 1 1 1 1
|
|
typat38 1 1 1 1 1 1 1 1
|
|
typat39 1 1 1 1 1 1 1 1
|
|
typat40 1 1 1 1 1 1 1 1
|
|
typat41 1 1 1 1 1 1 1 1
|
|
typat42 1 1 1 1 1 1 1 1
|
|
xangst1 7.7603762877E-01 8.0450104669E-01 4.8644509137E-01
|
|
2.6281578588E+00 8.0450104669E-01 4.8644509137E-01
|
|
xangst2 7.7603762877E-01 8.0450104669E-01 4.8644509137E-01
|
|
4.1241854141E+00 4.9755782009E+00 3.9357830120E+00
|
|
2.6281578588E+00 8.0450104669E-01 4.8644509137E-01
|
|
2.2720651840E+00 4.9755782009E+00 3.9357830120E+00
|
|
xangst3 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
3.8105637520E+00 6.3501265031E-01 4.1743139201E+00
|
|
2.5728128596E+00 6.3501265031E-01 5.1592643956E-01
|
|
1.9584435219E+00 6.3501265031E-01 4.1743139201E+00
|
|
xangst4 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
3.8105637520E+00 6.3501265031E-01 4.1743139201E+00
|
|
7.2069262958E-01 2.7517214847E+00 5.1592643956E-01
|
|
3.8105637520E+00 2.7517214847E+00 4.1743139201E+00
|
|
xangst5 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
3.8105637520E+00 6.3501265031E-01 4.1743139201E+00
|
|
2.5728128596E+00 2.7517214847E+00 5.1592643956E-01
|
|
1.9584435219E+00 2.7517214847E+00 4.1743139201E+00
|
|
xangst6 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
3.8105637520E+00 2.7517214847E+00 4.1743139201E+00
|
|
2.5728128596E+00 6.3501265031E-01 5.1592643956E-01
|
|
1.9584435219E+00 2.7517214847E+00 4.1743139201E+00
|
|
xangst7 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
3.8105637520E+00 2.7517214847E+00 4.1743139201E+00
|
|
7.2069262958E-01 2.7517214847E+00 5.1592643956E-01
|
|
3.8105637520E+00 6.3501265031E-01 4.1743139201E+00
|
|
xangst8 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
3.8105637520E+00 2.7517214847E+00 4.1743139201E+00
|
|
2.5728128596E+00 2.7517214847E+00 5.1592643956E-01
|
|
1.9584435219E+00 6.3501265031E-01 4.1743139201E+00
|
|
xangst9 -1.1314276005E+00 2.7517214847E+00 5.1592643956E-01
|
|
1.9584435219E+00 2.7517214847E+00 4.1743139201E+00
|
|
-7.1791963978E-01 2.7517214847E+00 2.8610466194E+00
|
|
1.5449355612E+00 2.7517214847E+00 1.8291937403E+00
|
|
xangst10 -1.1314276005E+00 2.7517214847E+00 5.1592643956E-01
|
|
1.9584435219E+00 2.7517214847E+00 4.1743139201E+00
|
|
7.2069262958E-01 2.7517214847E+00 5.1592643956E-01
|
|
1.0632329183E-01 2.7517214847E+00 4.1743139201E+00
|
|
xangst11 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
7.2069262958E-01 3.5984050184E+00 5.1592643956E-01
|
|
2.5728128596E+00 6.3501265031E-01 5.1592643956E-01
|
|
2.5728128596E+00 3.5984050184E+00 5.1592643956E-01
|
|
xangst12 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
7.2069262958E-01 3.5984050184E+00 5.1592643956E-01
|
|
7.2069262958E-01 2.7517214847E+00 5.1592643956E-01
|
|
7.2069262958E-01 1.4816961841E+00 5.1592643956E-01
|
|
xangst13 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
7.2069262958E-01 3.5984050184E+00 5.1592643956E-01
|
|
2.5728128596E+00 2.7517214847E+00 5.1592643956E-01
|
|
2.5728128596E+00 1.4816961841E+00 5.1592643956E-01
|
|
xangst14 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
1.1342005903E+00 3.5984050184E+00 2.8610466194E+00
|
|
2.5728128596E+00 6.3501265031E-01 5.1592643956E-01
|
|
2.9863208203E+00 3.5984050184E+00 2.8610466194E+00
|
|
xangst15 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
1.1342005903E+00 3.5984050184E+00 2.8610466194E+00
|
|
1.1342005903E+00 6.3501265031E-01 2.8610466194E+00
|
|
7.2069262958E-01 3.5984050184E+00 5.1592643956E-01
|
|
xangst16 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
1.1342005903E+00 3.5984050184E+00 2.8610466194E+00
|
|
7.2069262958E-01 2.7517214847E+00 5.1592643956E-01
|
|
1.1342005903E+00 1.4816961841E+00 2.8610466194E+00
|
|
xangst17 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
1.1342005903E+00 3.5984050184E+00 2.8610466194E+00
|
|
2.5728128596E+00 2.7517214847E+00 5.1592643956E-01
|
|
2.9863208203E+00 1.4816961841E+00 2.8610466194E+00
|
|
xangst18 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
1.1342005903E+00 3.5984050184E+00 2.8610466194E+00
|
|
1.1342005903E+00 2.7517214847E+00 2.8610466194E+00
|
|
7.2069262958E-01 1.4816961841E+00 5.1592643956E-01
|
|
xangst19 -1.1314276005E+00 2.7517214847E+00 5.1592643956E-01
|
|
-1.1314276005E+00 1.4816961841E+00 5.1592643956E-01
|
|
-7.1791963978E-01 2.7517214847E+00 2.8610466194E+00
|
|
-7.1791963978E-01 1.4816961841E+00 2.8610466194E+00
|
|
xangst20 -1.1314276005E+00 2.7517214847E+00 5.1592643956E-01
|
|
-1.1314276005E+00 1.4816961841E+00 5.1592643956E-01
|
|
7.2069262958E-01 2.7517214847E+00 5.1592643956E-01
|
|
7.2069262958E-01 1.4816961841E+00 5.1592643956E-01
|
|
xangst21 -1.1314276005E+00 2.7517214847E+00 5.1592643956E-01
|
|
-7.1791963978E-01 1.4816961841E+00 2.8610466194E+00
|
|
-7.1791963978E-01 2.7517214847E+00 2.8610466194E+00
|
|
-1.1314276005E+00 1.4816961841E+00 5.1592643956E-01
|
|
xangst22 -1.1314276005E+00 2.7517214847E+00 5.1592643956E-01
|
|
-7.1791963978E-01 1.4816961841E+00 2.8610466194E+00
|
|
7.2069262958E-01 2.7517214847E+00 5.1592643956E-01
|
|
1.1342005903E+00 1.4816961841E+00 2.8610466194E+00
|
|
xangst23 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
3.8105637520E+00 6.3501265031E-01 4.1743139201E+00
|
|
3.8105637520E+00 3.5984050184E+00 4.1743139201E+00
|
|
7.2069262958E-01 3.5984050184E+00 5.1592643956E-01
|
|
2.5728128596E+00 6.3501265031E-01 5.1592643956E-01
|
|
1.9584435219E+00 6.3501265031E-01 4.1743139201E+00
|
|
1.9584435219E+00 3.5984050184E+00 4.1743139201E+00
|
|
2.5728128596E+00 3.5984050184E+00 5.1592643956E-01
|
|
xangst24 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
3.8105637520E+00 6.3501265031E-01 4.1743139201E+00
|
|
3.8105637520E+00 3.5984050184E+00 4.1743139201E+00
|
|
7.2069262958E-01 3.5984050184E+00 5.1592643956E-01
|
|
7.2069262958E-01 2.7517214847E+00 5.1592643956E-01
|
|
3.8105637520E+00 2.7517214847E+00 4.1743139201E+00
|
|
3.8105637520E+00 1.4816961841E+00 4.1743139201E+00
|
|
7.2069262958E-01 1.4816961841E+00 5.1592643956E-01
|
|
xangst25 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
3.8105637520E+00 6.3501265031E-01 4.1743139201E+00
|
|
3.8105637520E+00 3.5984050184E+00 4.1743139201E+00
|
|
7.2069262958E-01 3.5984050184E+00 5.1592643956E-01
|
|
2.5728128596E+00 2.7517214847E+00 5.1592643956E-01
|
|
1.9584435219E+00 2.7517214847E+00 4.1743139201E+00
|
|
1.9584435219E+00 1.4816961841E+00 4.1743139201E+00
|
|
2.5728128596E+00 1.4816961841E+00 5.1592643956E-01
|
|
xangst26 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
3.8105637520E+00 2.7517214847E+00 4.1743139201E+00
|
|
3.8105637520E+00 3.5984050184E+00 4.1743139201E+00
|
|
7.2069262958E-01 1.4816961841E+00 5.1592643956E-01
|
|
2.5728128596E+00 6.3501265031E-01 5.1592643956E-01
|
|
1.9584435219E+00 2.7517214847E+00 4.1743139201E+00
|
|
1.9584435219E+00 3.5984050184E+00 4.1743139201E+00
|
|
2.5728128596E+00 1.4816961841E+00 5.1592643956E-01
|
|
xangst27 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
3.8105637520E+00 2.7517214847E+00 4.1743139201E+00
|
|
3.8105637520E+00 3.5984050184E+00 4.1743139201E+00
|
|
7.2069262958E-01 1.4816961841E+00 5.1592643956E-01
|
|
7.2069262958E-01 2.7517214847E+00 5.1592643956E-01
|
|
3.8105637520E+00 6.3501265031E-01 4.1743139201E+00
|
|
3.8105637520E+00 1.4816961841E+00 4.1743139201E+00
|
|
7.2069262958E-01 3.5984050184E+00 5.1592643956E-01
|
|
xangst28 7.2069262958E-01 6.3501265031E-01 5.1592643956E-01
|
|
3.8105637520E+00 2.7517214847E+00 4.1743139201E+00
|
|
3.8105637520E+00 3.5984050184E+00 4.1743139201E+00
|
|
7.2069262958E-01 1.4816961841E+00 5.1592643956E-01
|
|
2.5728128596E+00 2.7517214847E+00 5.1592643956E-01
|
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3.3000000000E-01 6.5000000000E-01 8.9000000000E-01
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3.3000000000E-01 3.5000000000E-01 8.9000000000E-01
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6.7000000000E-01 3.5000000000E-01 1.1000000000E-01
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xred26 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
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8.3000000000E-01 6.5000000000E-01 8.9000000000E-01
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8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
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1.7000000000E-01 3.5000000000E-01 1.1000000000E-01
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6.7000000000E-01 1.5000000000E-01 1.1000000000E-01
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3.3000000000E-01 6.5000000000E-01 8.9000000000E-01
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3.3000000000E-01 8.5000000000E-01 8.9000000000E-01
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6.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
xred27 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
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8.3000000000E-01 6.5000000000E-01 8.9000000000E-01
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8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
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1.7000000000E-01 3.5000000000E-01 1.1000000000E-01
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1.7000000000E-01 6.5000000000E-01 1.1000000000E-01
|
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8.3000000000E-01 1.5000000000E-01 8.9000000000E-01
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8.3000000000E-01 3.5000000000E-01 8.9000000000E-01
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1.7000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
xred28 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
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|
8.3000000000E-01 6.5000000000E-01 8.9000000000E-01
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|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
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1.7000000000E-01 3.5000000000E-01 1.1000000000E-01
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6.7000000000E-01 6.5000000000E-01 1.1000000000E-01
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3.3000000000E-01 1.5000000000E-01 8.9000000000E-01
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3.3000000000E-01 3.5000000000E-01 8.9000000000E-01
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6.7000000000E-01 8.5000000000E-01 1.1000000000E-01
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|
xred29 3.2000000000E-01 9.8000000000E-01 1.1000000000E-01
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|
9.8000000000E-01 3.2000000000E-01 8.9000000000E-01
|
|
6.8000000000E-01 2.0000000000E-02 8.9000000000E-01
|
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2.0000000000E-02 6.8000000000E-01 1.1000000000E-01
|
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3.2000000000E-01 9.8000000000E-01 6.1000000000E-01
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9.8000000000E-01 3.2000000000E-01 3.9000000000E-01
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6.8000000000E-01 2.0000000000E-02 3.9000000000E-01
|
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2.0000000000E-02 6.8000000000E-01 6.1000000000E-01
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|
xred30 3.2000000000E-01 9.8000000000E-01 1.1000000000E-01
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|
9.8000000000E-01 3.2000000000E-01 8.9000000000E-01
|
|
6.8000000000E-01 2.0000000000E-02 8.9000000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 1.1000000000E-01
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8.2000000000E-01 4.8000000000E-01 1.1000000000E-01
|
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4.8000000000E-01 8.2000000000E-01 8.9000000000E-01
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1.8000000000E-01 5.2000000000E-01 8.9000000000E-01
|
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5.2000000000E-01 1.8000000000E-01 1.1000000000E-01
|
|
xred31 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
3.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
xred32 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
1.7000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 3.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
xred33 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
1.7000000000E-01 1.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 8.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
xred34 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
1.7000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 8.9000000000E-01
|
|
8.3000000000E-01 3.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
xred35 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
3.3000000000E-01 3.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
xred36 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
3.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
xred37 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
1.7000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 3.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
xred38 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
1.7000000000E-01 1.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 8.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
xred39 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
1.7000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 8.9000000000E-01
|
|
8.3000000000E-01 3.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
xred40 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
3.3000000000E-01 3.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
xred41 3.2000000000E-01 9.8000000000E-01 1.1000000000E-01
|
|
9.8000000000E-01 3.2000000000E-01 3.9000000000E-01
|
|
6.8000000000E-01 2.0000000000E-02 8.9000000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 6.1000000000E-01
|
|
3.2000000000E-01 9.8000000000E-01 6.1000000000E-01
|
|
9.8000000000E-01 3.2000000000E-01 8.9000000000E-01
|
|
6.8000000000E-01 2.0000000000E-02 3.9000000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 1.1000000000E-01
|
|
xred42 3.2000000000E-01 9.8000000000E-01 1.1000000000E-01
|
|
9.8000000000E-01 3.2000000000E-01 3.9000000000E-01
|
|
6.8000000000E-01 2.0000000000E-02 8.9000000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 6.1000000000E-01
|
|
8.2000000000E-01 4.8000000000E-01 1.1000000000E-01
|
|
4.8000000000E-01 8.2000000000E-01 3.9000000000E-01
|
|
1.8000000000E-01 5.2000000000E-01 8.9000000000E-01
|
|
5.2000000000E-01 1.8000000000E-01 6.1000000000E-01
|
|
znucl 1.00000
|
|
|
|
================================================================================
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 1.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 2.
|
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chkinp: Checking input parameters for consistency, jdtset= 3.
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chkinp: Checking input parameters for consistency, jdtset= 4.
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chkinp: Checking input parameters for consistency, jdtset= 5.
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chkinp: Checking input parameters for consistency, jdtset= 6.
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chkinp: Checking input parameters for consistency, jdtset= 7.
|
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chkinp: Checking input parameters for consistency, jdtset= 8.
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chkinp: Checking input parameters for consistency, jdtset= 9.
|
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chkinp: Checking input parameters for consistency, jdtset= 10.
|
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chkinp: Checking input parameters for consistency, jdtset= 11.
|
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chkinp: Checking input parameters for consistency, jdtset= 12.
|
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chkinp: Checking input parameters for consistency, jdtset= 13.
|
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chkinp: Checking input parameters for consistency, jdtset= 14.
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chkinp: Checking input parameters for consistency, jdtset= 15.
|
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chkinp: Checking input parameters for consistency, jdtset= 16.
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chkinp: Checking input parameters for consistency, jdtset= 17.
|
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chkinp: Checking input parameters for consistency, jdtset= 18.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 19.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 20.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 21.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 22.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 23.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 24.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 25.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 26.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 27.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 28.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 29.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 30.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 31.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 32.
|
|
|
|
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.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 36.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 37.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 38.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 39.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 40.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 41.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 42.
|
|
|
|
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= 3.6 wall= 3.6
|
|
|
|
================================================================================
|
|
|
|
Calculation completed.
|
|
.Delivered 0 WARNINGs and 44 COMMENTs to log file.
|
|
+Overall time at end (sec) : cpu= 3.6 wall= 3.6
|