mirror of https://github.com/abinit/abinit.git
8032 lines
568 KiB
Plaintext
8032 lines
568 KiB
Plaintext
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.Version 10.2.4.2 of ABINIT, released Nov 2024.
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.(MPI version, prepared for a x86_64_linux_gnu13.2 computer)
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.Copyright (C) 1998-2025 ABINIT group .
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ABINIT comes with ABSOLUTELY NO WARRANTY.
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It is free software, and you are welcome to redistribute it
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under certain conditions (GNU General Public License,
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see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).
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ABINIT is a project of the Universite Catholique de Louvain,
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Corning Inc. and other collaborators, see ~abinit/doc/developers/contributors.txt .
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Please read https://docs.abinit.org/theory/acknowledgments for suggested
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acknowledgments of the ABINIT effort.
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For more information, see https://www.abinit.org .
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.Starting date : Wed 6 Nov 2024.
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- ( at 20h10 )
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- input file -> /home/buildbot/ABINIT3/eos_gnu_13.2_mpich/trunk_gonze-10.2/tests/Test_suite/v3_t34/t34.abi
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- output file -> t34.abo
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- root for input files -> t34i
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- root for output files -> t34o
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DATASET 1 : magnetic group, Shubnikov type IV
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Fedorov space group Am m 2 (# 38)
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Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
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================================================================================
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Values of the parameters that define the memory need for DATASET 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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 9 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 1.321 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
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================================================================================
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DATASET 2 : magnetic group, Shubnikov type IV
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Fedorov space group Am m 2 (# 38)
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Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
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================================================================================
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Values of the parameters that define the memory need for DATASET 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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 9 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 1.321 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
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================================================================================
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DATASET 3 : magnetic group, Shubnikov type IV
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Fedorov space group Am m 2 (# 38)
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Magnetic Bravais lattice oC_A (1-face-centered ortho., 1-face-magnetic, #17)
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================================================================================
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Values of the parameters that define the memory need for DATASET 3.
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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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 9 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 1.321 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
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================================================================================
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DATASET 4 : magnetic group, Shubnikov type IV
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Fedorov space group Ab m 2 (# 39)
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Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
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================================================================================
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Values of the parameters that define the memory need for DATASET 4.
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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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 9 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 1.321 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
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================================================================================
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DATASET 5 : magnetic group, Shubnikov type IV
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Fedorov space group Ab m 2 (# 39)
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Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
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================================================================================
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Values of the parameters that define the memory need for DATASET 5.
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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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 9 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 1.321 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
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================================================================================
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DATASET 6 : magnetic group, Shubnikov type IV
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Fedorov space group Ab m 2 (# 39)
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Magnetic Bravais lattice oC_A (1-face-centered ortho., 1-face-magnetic, #17)
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================================================================================
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Values of the parameters that define the memory need for DATASET 6.
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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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 9 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 1.321 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
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================================================================================
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DATASET 7 : magnetic group, Shubnikov type IV
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Fedorov space group Am a 2 (# 40)
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Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
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================================================================================
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Values of the parameters that define the memory need for DATASET 7.
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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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 9 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 1.321 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
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================================================================================
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DATASET 8 : magnetic group, Shubnikov type IV
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Fedorov space group Am a 2 (# 40)
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Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
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================================================================================
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Values of the parameters that define the memory need for DATASET 8.
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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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 9 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 1.321 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
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================================================================================
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DATASET 9 : magnetic group, Shubnikov type IV
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Fedorov space group Am a 2 (# 40)
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Magnetic Bravais lattice oC_A (1-face-centered ortho., 1-face-magnetic, #17)
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================================================================================
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Values of the parameters that define the memory need for DATASET 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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 9 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 1.321 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
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================================================================================
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DATASET 10 : magnetic group, Shubnikov type IV
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Fedorov space group Ab a 2 (# 41)
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Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
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================================================================================
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Values of the parameters that define the memory need for DATASET 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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 9 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 1.321 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
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================================================================================
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DATASET 11 : magnetic group, Shubnikov type IV
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Fedorov space group Ab a 2 (# 41)
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Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
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================================================================================
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Values of the parameters that define the memory need for DATASET 11.
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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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 9 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 1.321 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
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================================================================================
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DATASET 12 : magnetic group, Shubnikov type IV
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Fedorov space group Ab a 2 (# 41)
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Magnetic Bravais lattice oC_A (1-face-centered ortho., 1-face-magnetic, #17)
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================================================================================
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Values of the parameters that define the memory need for DATASET 12.
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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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 9 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 1.321 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
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================================================================================
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DATASET 13 : magnetic group, Shubnikov type IV
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Fedorov space group Fm m 2 (# 42)
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Magnetic Bravais lattice oF_s (face-center ortho., simple ortho. magnetic, #19)
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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 = 6 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 6 nfft = 216 nkpt = 1
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================================================================================
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P This job should need less than 1.287 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 : 0.005 Mbytes.
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================================================================================
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DATASET 14 : magnetic group, Shubnikov type IV
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Fedorov space group Fd d 2 (# 43)
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Magnetic Bravais lattice oF_s (face-center ortho., simple ortho. magnetic, #19)
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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 = 6 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 6 nfft = 216 nkpt = 1
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================================================================================
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P This job should need less than 1.287 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 : 0.005 Mbytes.
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================================================================================
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DATASET 15 : magnetic group, Shubnikov type IV
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Fedorov space group Im m 2 (# 44)
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Magnetic Bravais lattice oI_c (body-center ortho., simple ortho. magn., #21)
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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 = 8 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 8 nfft = 512 nkpt = 1
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================================================================================
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P This job should need less than 1.415 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
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================================================================================
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DATASET 16 : magnetic group, Shubnikov type IV
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Fedorov space group Im m 2 (# 44)
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Magnetic Bravais lattice oI_c (body-center ortho., simple ortho. magn., #21)
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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 = 8 mpssoang = 1 mqgrid = 3001
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natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 8 nfft = 512 nkpt = 1
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================================================================================
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P This job should need less than 1.415 Mbytes of memory.
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|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
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================================================================================
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DATASET 17 : magnetic group, Shubnikov type IV
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Fedorov space group Ib a 2 (# 45)
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Magnetic Bravais lattice oI_c (body-center ortho., simple ortho. magn., #21)
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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 = 8 mpssoang = 1 mqgrid = 3001
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|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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|
mpw = 8 nfft = 512 nkpt = 1
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|
================================================================================
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P This job should need less than 1.415 Mbytes of memory.
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|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
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|
================================================================================
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DATASET 18 : magnetic group, Shubnikov type IV
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Fedorov space group Ib a 2 (# 45)
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Magnetic Bravais lattice oI_c (body-center ortho., simple ortho. magn., #21)
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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 = 8 mpssoang = 1 mqgrid = 3001
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|
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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|
mpw = 8 nfft = 512 nkpt = 1
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|
================================================================================
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P This job should need less than 1.415 Mbytes of memory.
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|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
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================================================================================
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DATASET 19 : magnetic group, Shubnikov type IV
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Fedorov space group Im a 2 (# 46)
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Magnetic Bravais lattice oI_c (body-center ortho., simple ortho. magn., #21)
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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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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occopt = 7 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 8 nfft = 512 nkpt = 1
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================================================================================
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|
P This job should need less than 1.415 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
|
|
================================================================================
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|
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DATASET 20 : magnetic group, Shubnikov type IV
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|
Fedorov space group Im a 2 (# 46)
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Magnetic Bravais lattice oI_c (body-center ortho., simple ortho. magn., #21)
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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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
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|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
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|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 8 nfft = 512 nkpt = 1
|
|
================================================================================
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|
P This job should need less than 1.415 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 21 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Im a 2 (# 46)
|
|
Magnetic Bravais lattice oI_c (body-center ortho., simple ortho. magn., #21)
|
|
================================================================================
|
|
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 8 mffmem = 1 mkmem = 1
|
|
mpw = 8 nfft = 512 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.415 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 22 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm m m (# 47)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 22.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 23 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm m m (# 47)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 24 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm m m (# 47)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 25 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn n n (# 48)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 25.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 26 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn n n (# 48)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 27 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn n n (# 48)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 28 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c m (# 49)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 29 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c m (# 49)
|
|
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 29.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 30 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c m (# 49)
|
|
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 30.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 31 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c m (# 49)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 32 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c m (# 49)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 33 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pb a n (# 50)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 33.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 34 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pb a n (# 50)
|
|
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
|
|
================================================================================
|
|
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 35 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pb a n (# 50)
|
|
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 35.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 36 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pb a n (# 50)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 36.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 37 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pb a n (# 50)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 37.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 38 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm m a (# 51)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 38.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 39 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm m a (# 51)
|
|
Magnetic Bravais lattice oP_b (primitive ortho., b-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 39.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 40 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm m a (# 51)
|
|
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 40.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 41 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm m a (# 51)
|
|
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 41.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 42 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm m a (# 51)
|
|
Magnetic Bravais lattice oP_B (primitive ortho., B-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 42.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 43 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm m a (# 51)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 43.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 44 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm m a (# 51)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 44.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 45 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn n a (# 52)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 45.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 46 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn n a (# 52)
|
|
Magnetic Bravais lattice oP_b (primitive ortho., b-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 46.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 47 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn n a (# 52)
|
|
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 47.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 48 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn n a (# 52)
|
|
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 48.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 49 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn n a (# 52)
|
|
Magnetic Bravais lattice oP_B (primitive ortho., B-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 49.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 50 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn n a (# 52)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 50.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 51 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pn n a (# 52)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 51.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 52 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm n a (# 53)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 52.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 53 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm n a (# 53)
|
|
Magnetic Bravais lattice oP_b (primitive ortho., b-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 53.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 54 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm n a (# 53)
|
|
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 54.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 55 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm n a (# 53)
|
|
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 55.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 56 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm n a (# 53)
|
|
Magnetic Bravais lattice oP_B (primitive ortho., B-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 56.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 57 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm n a (# 53)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 57.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 58 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pm n a (# 53)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 58.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 59 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c a (# 54)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 59.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 60 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c a (# 54)
|
|
Magnetic Bravais lattice oP_b (primitive ortho., b-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 60.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 61 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c a (# 54)
|
|
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 61.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 62 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c a (# 54)
|
|
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 62.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 63 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c a (# 54)
|
|
Magnetic Bravais lattice oP_B (primitive ortho., B-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 63.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 64 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c a (# 54)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 64.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 65 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c a (# 54)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 65.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 66 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pb a m (# 55)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 66.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 67 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pb a m (# 55)
|
|
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 67.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 68 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pb a m (# 55)
|
|
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 68.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 69 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pb a m (# 55)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 69.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 70 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pb a m (# 55)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 70.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 71 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c n (# 56)
|
|
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 71.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 72 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c n (# 56)
|
|
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 72.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 73 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c n (# 56)
|
|
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 73.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 74 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c n (# 56)
|
|
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 74.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
DATASET 75 : magnetic group, Shubnikov type IV
|
|
Fedorov space group Pc c n (# 56)
|
|
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
|
|
================================================================================
|
|
Values of the parameters that define the memory need for DATASET 75.
|
|
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
|
|
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
|
|
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
|
|
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
|
|
occopt = 7 xclevel = 1
|
|
- mband = 16 mffmem = 1 mkmem = 1
|
|
mpw = 15 nfft = 640 nkpt = 1
|
|
================================================================================
|
|
P This job should need less than 1.518 Mbytes of memory.
|
|
Rough estimation (10% accuracy) of disk space for files :
|
|
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
|
|
================================================================================
|
|
|
|
--------------------------------------------------------------------------------
|
|
------------- Echo of variables that govern the present computation ------------
|
|
--------------------------------------------------------------------------------
|
|
-
|
|
- outvars: echo of selected default values
|
|
- iomode0 = 0 , fftalg0 =512 , wfoptalg0 = 0
|
|
-
|
|
- outvars: echo of global parameters not present in the input file
|
|
- max_nthreads = 0
|
|
-
|
|
-outvars: echo values of preprocessed input variables --------
|
|
acell1 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell2 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell3 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell4 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell5 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell6 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell7 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell8 1.0000000000E+00 1.0000000000E+00 1.0000000000E+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 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell12 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell13 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell14 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell15 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell16 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell17 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell18 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell19 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell20 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell21 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
|
|
acell22 7.0000000000E+00 8.0000000000E+00 9.0000000000E+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 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell30 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell31 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell32 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell33 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell34 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell35 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell36 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell37 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell38 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell39 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell40 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell41 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell42 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell43 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell44 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell45 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell46 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell47 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell48 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell49 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell50 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell51 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell52 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell53 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell54 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell55 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell56 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell57 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell58 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell59 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell60 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell61 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell62 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell63 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell64 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell65 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell66 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell67 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell68 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell69 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell70 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell71 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell72 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell73 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell74 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
acell75 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
|
|
amu 1.00794000E+00
|
|
ecut 1.00000000E+00 Hartree
|
|
- fftalg 512
|
|
istwfk 2
|
|
jdtset 1 2 3 4 5 6 7 8 9 10
|
|
11 12 13 14 15 16 17 18 19 20
|
|
21 22 23 24 25 26 27 28 29 30
|
|
31 32 33 34 35 36 37 38 39 40
|
|
41 42 43 44 45 46 47 48 49 50
|
|
51 52 53 54 55 56 57 58 59 60
|
|
61 62 63 64 65 66 67 68 69 70
|
|
71 72 73 74 75
|
|
kptopt 0
|
|
P mkmem 1
|
|
natom1 8
|
|
natom2 8
|
|
natom3 8
|
|
natom4 8
|
|
natom5 8
|
|
natom6 8
|
|
natom7 8
|
|
natom8 8
|
|
natom9 8
|
|
natom10 8
|
|
natom11 8
|
|
natom12 8
|
|
natom13 8
|
|
natom14 8
|
|
natom15 8
|
|
natom16 8
|
|
natom17 8
|
|
natom18 8
|
|
natom19 8
|
|
natom20 8
|
|
natom21 8
|
|
natom22 16
|
|
natom23 16
|
|
natom24 16
|
|
natom25 16
|
|
natom26 16
|
|
natom27 16
|
|
natom28 16
|
|
natom29 16
|
|
natom30 16
|
|
natom31 16
|
|
natom32 16
|
|
natom33 16
|
|
natom34 16
|
|
natom35 16
|
|
natom36 16
|
|
natom37 16
|
|
natom38 16
|
|
natom39 16
|
|
natom40 16
|
|
natom41 16
|
|
natom42 16
|
|
natom43 16
|
|
natom44 16
|
|
natom45 16
|
|
natom46 16
|
|
natom47 16
|
|
natom48 16
|
|
natom49 16
|
|
natom50 16
|
|
natom51 16
|
|
natom52 16
|
|
natom53 16
|
|
natom54 16
|
|
natom55 16
|
|
natom56 16
|
|
natom57 16
|
|
natom58 16
|
|
natom59 16
|
|
natom60 16
|
|
natom61 16
|
|
natom62 16
|
|
natom63 16
|
|
natom64 16
|
|
natom65 16
|
|
natom66 16
|
|
natom67 16
|
|
natom68 16
|
|
natom69 16
|
|
natom70 16
|
|
natom71 16
|
|
natom72 16
|
|
natom73 16
|
|
natom74 16
|
|
natom75 16
|
|
nband1 8
|
|
nband2 8
|
|
nband3 8
|
|
nband4 8
|
|
nband5 8
|
|
nband6 8
|
|
nband7 8
|
|
nband8 8
|
|
nband9 8
|
|
nband10 8
|
|
nband11 8
|
|
nband12 8
|
|
nband13 8
|
|
nband14 8
|
|
nband15 8
|
|
nband16 8
|
|
nband17 8
|
|
nband18 8
|
|
nband19 8
|
|
nband20 8
|
|
nband21 8
|
|
nband22 16
|
|
nband23 16
|
|
nband24 16
|
|
nband25 16
|
|
nband26 16
|
|
nband27 16
|
|
nband28 16
|
|
nband29 16
|
|
nband30 16
|
|
nband31 16
|
|
nband32 16
|
|
nband33 16
|
|
nband34 16
|
|
nband35 16
|
|
nband36 16
|
|
nband37 16
|
|
nband38 16
|
|
nband39 16
|
|
nband40 16
|
|
nband41 16
|
|
nband42 16
|
|
nband43 16
|
|
nband44 16
|
|
nband45 16
|
|
nband46 16
|
|
nband47 16
|
|
nband48 16
|
|
nband49 16
|
|
nband50 16
|
|
nband51 16
|
|
nband52 16
|
|
nband53 16
|
|
nband54 16
|
|
nband55 16
|
|
nband56 16
|
|
nband57 16
|
|
nband58 16
|
|
nband59 16
|
|
nband60 16
|
|
nband61 16
|
|
nband62 16
|
|
nband63 16
|
|
nband64 16
|
|
nband65 16
|
|
nband66 16
|
|
nband67 16
|
|
nband68 16
|
|
nband69 16
|
|
nband70 16
|
|
nband71 16
|
|
nband72 16
|
|
nband73 16
|
|
nband74 16
|
|
nband75 16
|
|
ndtset 75
|
|
ngfft1 8 6 6
|
|
ngfft2 8 6 6
|
|
ngfft3 8 6 6
|
|
ngfft4 8 6 6
|
|
ngfft5 8 6 6
|
|
ngfft6 8 6 6
|
|
ngfft7 8 6 6
|
|
ngfft8 8 6 6
|
|
ngfft9 8 6 6
|
|
ngfft10 8 6 6
|
|
ngfft11 8 6 6
|
|
ngfft12 8 6 6
|
|
ngfft13 6 6 6
|
|
ngfft14 6 6 6
|
|
ngfft15 8 8 8
|
|
ngfft16 8 8 8
|
|
ngfft17 8 8 8
|
|
ngfft18 8 8 8
|
|
ngfft19 8 8 8
|
|
ngfft20 8 8 8
|
|
ngfft21 8 8 8
|
|
ngfft22 8 8 10
|
|
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 8 8 10
|
|
ngfft30 8 8 10
|
|
ngfft31 8 8 10
|
|
ngfft32 8 8 10
|
|
ngfft33 8 8 10
|
|
ngfft34 8 8 10
|
|
ngfft35 8 8 10
|
|
ngfft36 8 8 10
|
|
ngfft37 8 8 10
|
|
ngfft38 8 8 10
|
|
ngfft39 8 8 10
|
|
ngfft40 8 8 10
|
|
ngfft41 8 8 10
|
|
ngfft42 8 8 10
|
|
ngfft43 8 8 10
|
|
ngfft44 8 8 10
|
|
ngfft45 8 8 10
|
|
ngfft46 8 8 10
|
|
ngfft47 8 8 10
|
|
ngfft48 8 8 10
|
|
ngfft49 8 8 10
|
|
ngfft50 8 8 10
|
|
ngfft51 8 8 10
|
|
ngfft52 8 8 10
|
|
ngfft53 8 8 10
|
|
ngfft54 8 8 10
|
|
ngfft55 8 8 10
|
|
ngfft56 8 8 10
|
|
ngfft57 8 8 10
|
|
ngfft58 8 8 10
|
|
ngfft59 8 8 10
|
|
ngfft60 8 8 10
|
|
ngfft61 8 8 10
|
|
ngfft62 8 8 10
|
|
ngfft63 8 8 10
|
|
ngfft64 8 8 10
|
|
ngfft65 8 8 10
|
|
ngfft66 8 8 10
|
|
ngfft67 8 8 10
|
|
ngfft68 8 8 10
|
|
ngfft69 8 8 10
|
|
ngfft70 8 8 10
|
|
ngfft71 8 8 10
|
|
ngfft72 8 8 10
|
|
ngfft73 8 8 10
|
|
ngfft74 8 8 10
|
|
ngfft75 8 8 10
|
|
nkpt 1
|
|
nline 1
|
|
nspden 2
|
|
nsppol 2
|
|
nstep 1
|
|
nsym1 8
|
|
nsym2 8
|
|
nsym3 8
|
|
nsym4 8
|
|
nsym5 8
|
|
nsym6 8
|
|
nsym7 8
|
|
nsym8 8
|
|
nsym9 8
|
|
nsym10 8
|
|
nsym11 8
|
|
nsym12 8
|
|
nsym13 8
|
|
nsym14 8
|
|
nsym15 8
|
|
nsym16 8
|
|
nsym17 8
|
|
nsym18 8
|
|
nsym19 8
|
|
nsym20 8
|
|
nsym21 8
|
|
nsym22 16
|
|
nsym23 16
|
|
nsym24 16
|
|
nsym25 16
|
|
nsym26 16
|
|
nsym27 16
|
|
nsym28 16
|
|
nsym29 16
|
|
nsym30 16
|
|
nsym31 16
|
|
nsym32 16
|
|
nsym33 16
|
|
nsym34 16
|
|
nsym35 16
|
|
nsym36 16
|
|
nsym37 16
|
|
nsym38 16
|
|
nsym39 16
|
|
nsym40 16
|
|
nsym41 16
|
|
nsym42 16
|
|
nsym43 16
|
|
nsym44 16
|
|
nsym45 16
|
|
nsym46 16
|
|
nsym47 16
|
|
nsym48 16
|
|
nsym49 16
|
|
nsym50 16
|
|
nsym51 16
|
|
nsym52 16
|
|
nsym53 16
|
|
nsym54 16
|
|
nsym55 16
|
|
nsym56 16
|
|
nsym57 16
|
|
nsym58 16
|
|
nsym59 16
|
|
nsym60 16
|
|
nsym61 16
|
|
nsym62 16
|
|
nsym63 16
|
|
nsym64 16
|
|
nsym65 16
|
|
nsym66 16
|
|
nsym67 16
|
|
nsym68 16
|
|
nsym69 16
|
|
nsym70 16
|
|
nsym71 16
|
|
nsym72 16
|
|
nsym73 16
|
|
nsym74 16
|
|
nsym75 16
|
|
ntypat 1
|
|
occ1 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
|
|
occ2 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
|
|
occ3 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
|
|
occ4 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
|
|
occ5 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
|
|
occ6 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
|
|
occ7 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
|
|
occ8 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
|
|
occ9 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
|
|
occ10 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
|
|
occ11 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
|
|
occ12 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
|
|
occ13 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
|
|
occ14 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
|
|
occ15 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
|
|
occ16 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
|
|
occ17 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
|
|
occ18 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
|
|
occ19 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
|
|
occ20 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
|
|
occ21 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
|
|
occ22 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ23 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ24 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ25 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ26 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ27 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ28 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ29 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ30 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ31 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ32 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ33 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ34 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ35 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ36 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ37 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ38 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ39 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ40 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ41 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ42 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ43 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ44 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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occ45 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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occ46 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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occ47 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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occ48 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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occ49 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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occ50 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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occ51 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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occ52 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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occ53 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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occ54 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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occ55 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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occ56 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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|
occ57 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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occ58 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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|
0.000000 0.000000 0.000000 0.000000
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|
occ59 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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|
0.000000 0.000000 0.000000 0.000000
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|
occ60 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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0.000000 0.000000 0.000000 0.000000
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|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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|
0.000000 0.000000 0.000000 0.000000
|
|
occ61 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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|
0.000000 0.000000 0.000000 0.000000
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|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ62 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
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|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ63 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
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|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ64 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
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|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ65 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
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|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ66 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ67 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ68 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ69 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ70 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ71 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ72 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ73 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ74 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occ75 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
|
|
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000 0.000000
|
|
occopt 7
|
|
prtvol -1
|
|
rprim1 7.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
|
|
3.0616169979E-17 -4.0000000000E+00 4.5000000000E+00
|
|
rprim2 7.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
|
|
3.0616169979E-17 -4.0000000000E+00 4.5000000000E+00
|
|
rprim3 7.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
|
|
3.0616169979E-17 -4.0000000000E+00 4.5000000000E+00
|
|
rprim4 7.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
|
|
3.0616169979E-17 -4.0000000000E+00 4.5000000000E+00
|
|
rprim5 7.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
|
|
3.0616169979E-17 -4.0000000000E+00 4.5000000000E+00
|
|
rprim6 7.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
|
|
3.0616169979E-17 -4.0000000000E+00 4.5000000000E+00
|
|
rprim7 7.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
|
|
3.0616169979E-17 -4.0000000000E+00 4.5000000000E+00
|
|
rprim8 7.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
|
|
3.0616169979E-17 -4.0000000000E+00 4.5000000000E+00
|
|
rprim9 7.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
|
|
3.0616169979E-17 -4.0000000000E+00 4.5000000000E+00
|
|
rprim10 7.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
|
|
3.0616169979E-17 -4.0000000000E+00 4.5000000000E+00
|
|
rprim11 7.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
|
|
3.0616169979E-17 -4.0000000000E+00 4.5000000000E+00
|
|
rprim12 7.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
|
|
3.0616169979E-17 -4.0000000000E+00 4.5000000000E+00
|
|
rprim13 5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
|
|
3.5000000000E+00 2.7554552981E-16 4.5000000000E+00
|
|
3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
|
|
rprim14 5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
|
|
3.5000000000E+00 2.7554552981E-16 4.5000000000E+00
|
|
3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
|
|
rprim15 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
|
|
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
|
|
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
|
|
rprim16 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
|
|
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
|
|
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
|
|
rprim17 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
|
|
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
|
|
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
|
|
rprim18 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
|
|
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
|
|
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
|
|
rprim19 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
|
|
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
|
|
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
|
|
rprim20 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
|
|
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
|
|
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
|
|
rprim21 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
|
|
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
|
|
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
|
|
rprim22 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
|
|
rprim23 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
|
|
rprim24 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
|
|
rprim25 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
|
|
rprim26 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
|
|
rprim27 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
|
|
rprim28 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
|
|
rprim29 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
|
|
rprim30 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
|
|
rprim31 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
|
|
rprim32 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
|
|
rprim33 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
|
|
rprim34 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
|
|
rprim35 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
|
|
rprim36 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
|
|
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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spinat15 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat16 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat17 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat18 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat19 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat20 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat21 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat22 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat23 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat24 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat25 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat26 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat27 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat28 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat29 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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symafm1 1 1 1 1 -1 -1 -1 -1
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symafm2 1 1 1 1 -1 -1 -1 -1
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symafm3 1 1 1 1 -1 -1 -1 -1
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symafm4 1 1 1 1 -1 -1 -1 -1
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symafm5 1 1 1 1 -1 -1 -1 -1
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symafm6 1 1 1 1 -1 -1 -1 -1
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symafm7 1 1 1 1 -1 -1 -1 -1
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symafm8 1 1 1 1 -1 -1 -1 -1
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symafm9 1 1 1 1 -1 -1 -1 -1
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symafm10 1 1 1 1 -1 -1 -1 -1
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symafm11 1 1 1 1 -1 -1 -1 -1
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symafm12 1 1 1 1 -1 -1 -1 -1
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symafm13 1 1 1 1 -1 -1 -1 -1
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symafm14 1 1 1 1 -1 -1 -1 -1
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symafm15 1 1 1 1 -1 -1 -1 -1
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symafm16 1 1 1 1 -1 -1 -1 -1
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symafm17 1 1 1 1 -1 -1 -1 -1
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symafm18 1 1 1 1 -1 -1 -1 -1
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symafm19 1 1 1 1 -1 -1 -1 -1
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symafm20 1 1 1 1 -1 -1 -1 -1
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symafm21 1 1 1 1 -1 -1 -1 -1
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symafm22 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm23 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm24 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm25 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm26 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm27 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm28 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm29 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm30 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm31 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm32 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm33 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm34 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm35 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm36 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm37 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm38 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm39 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm40 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm41 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm42 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm43 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm44 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm45 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm46 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm47 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm48 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm49 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm50 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm51 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm52 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm53 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm54 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm55 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm56 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm57 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm58 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm59 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm60 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm61 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm62 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm63 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm64 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm65 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm66 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm67 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm68 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm69 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm70 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm71 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm72 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm73 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm74 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symafm75 1 1 1 1 1 1 1 1 -1 -1
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-1 -1 -1 -1 -1 -1
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symrel1 1 0 0 0 1 0 0 0 1 -1 0 0 0 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -1 0 0 0 1 0 0 0 1
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symrel9 1 0 0 0 1 0 0 0 1 -1 0 0 0 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -1 0 0 0 1 0 0 0 1
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symrel10 1 0 0 0 1 0 0 0 1 -1 0 0 0 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -1 0 0 0 1 0 0 0 1
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symrel11 1 0 0 0 1 0 0 0 1 -1 0 0 0 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -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 0 1 0 1 0
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1 0 0 0 0 1 0 1 0 -1 0 0 0 1 0 0 0 1
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symrel13 1 0 0 0 1 0 0 0 1 0 1 -1 1 0 -1 0 0 -1
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0 1 -1 0 1 0 -1 1 0 1 0 0 1 0 -1 1 -1 0
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1 0 0 0 1 0 0 0 1 0 1 -1 1 0 -1 0 0 -1
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0 1 -1 0 1 0 -1 1 0 1 0 0 1 0 -1 1 -1 0
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symrel14 1 0 0 0 1 0 0 0 1 0 1 -1 1 0 -1 0 0 -1
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toldfe 1.00000000E-06 Hartree
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typat1 1 1 1 1 1 1 1 1
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typat2 1 1 1 1 1 1 1 1
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typat3 1 1 1 1 1 1 1 1
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typat4 1 1 1 1 1 1 1 1
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typat5 1 1 1 1 1 1 1 1
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typat6 1 1 1 1 1 1 1 1
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typat7 1 1 1 1 1 1 1 1
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typat8 1 1 1 1 1 1 1 1
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typat9 1 1 1 1 1 1 1 1
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typat10 1 1 1 1 1 1 1 1
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typat11 1 1 1 1 1 1 1 1
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typat12 1 1 1 1 1 1 1 1
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typat13 1 1 1 1 1 1 1 1
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typat14 1 1 1 1 1 1 1 1
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typat15 1 1 1 1 1 1 1 1
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typat16 1 1 1 1 1 1 1 1
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typat17 1 1 1 1 1 1 1 1
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typat18 1 1 1 1 1 1 1 1
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typat19 1 1 1 1 1 1 1 1
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typat20 1 1 1 1 1 1 1 1
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typat21 1 1 1 1 1 1 1 1
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typat22 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat23 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat27 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat29 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat30 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat31 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat32 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat33 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat34 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat35 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat37 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat38 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat39 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat40 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat41 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat42 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat43 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat44 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat45 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat46 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat47 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat49 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat50 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat51 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat52 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat53 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat54 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat55 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat56 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat57 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat58 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat59 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat60 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat61 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat62 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat63 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat64 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat65 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat66 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat67 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat68 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat69 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat70 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat71 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat72 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat73 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat74 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat75 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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xangst1 6.2972087822E-01 -1.4816961841E+00 2.9051828752E+00
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|
3.0745195819E+00 1.4816961841E+00 2.9051828752E+00
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6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
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3.0745195819E+00 -1.4816961841E+00 2.9051828752E+00
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2.4818411083E+00 -1.4816961841E+00 2.9051828752E+00
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1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
|
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2.4818411083E+00 1.4816961841E+00 2.9051828752E+00
|
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1.2223993518E+00 -1.4816961841E+00 2.9051828752E+00
|
|
xangst2 6.2972087822E-01 -1.4816961841E+00 2.9051828752E+00
|
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3.0745195819E+00 1.4816961841E+00 2.9051828752E+00
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6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
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3.0745195819E+00 -1.4816961841E+00 2.9051828752E+00
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6.2972087822E-01 6.3501265031E-01 2.9051828752E+00
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3.0745195819E+00 -6.3501265031E-01 2.9051828752E+00
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6.2972087822E-01 -6.3501265031E-01 2.9051828752E+00
|
|
3.0745195819E+00 6.3501265031E-01 2.9051828752E+00
|
|
xangst3 6.2972087822E-01 -1.4816961841E+00 2.9051828752E+00
|
|
3.0745195819E+00 1.4816961841E+00 2.9051828752E+00
|
|
6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
|
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3.0745195819E+00 -1.4816961841E+00 2.9051828752E+00
|
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2.4818411083E+00 6.3501265031E-01 2.9051828752E+00
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1.2223993518E+00 -6.3501265031E-01 2.9051828752E+00
|
|
2.4818411083E+00 -6.3501265031E-01 2.9051828752E+00
|
|
1.2223993518E+00 6.3501265031E-01 2.9051828752E+00
|
|
xangst4 6.2972087822E-01 -1.4816961841E+00 2.9051828752E+00
|
|
3.0745195819E+00 1.4816961841E+00 2.9051828752E+00
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|
6.2972087822E-01 -6.3501265031E-01 2.9051828752E+00
|
|
3.0745195819E+00 6.3501265031E-01 2.9051828752E+00
|
|
2.4818411083E+00 -1.4816961841E+00 2.9051828752E+00
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1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
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|
2.4818411083E+00 -6.3501265031E-01 2.9051828752E+00
|
|
1.2223993518E+00 6.3501265031E-01 2.9051828752E+00
|
|
xangst5 6.2972087822E-01 -1.4816961841E+00 2.9051828752E+00
|
|
3.0745195819E+00 1.4816961841E+00 2.9051828752E+00
|
|
6.2972087822E-01 -6.3501265031E-01 2.9051828752E+00
|
|
3.0745195819E+00 6.3501265031E-01 2.9051828752E+00
|
|
6.2972087822E-01 6.3501265031E-01 2.9051828752E+00
|
|
3.0745195819E+00 -6.3501265031E-01 2.9051828752E+00
|
|
6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
|
|
3.0745195819E+00 -1.4816961841E+00 2.9051828752E+00
|
|
xangst6 6.2972087822E-01 -1.4816961841E+00 2.9051828752E+00
|
|
3.0745195819E+00 1.4816961841E+00 2.9051828752E+00
|
|
6.2972087822E-01 -6.3501265031E-01 2.9051828752E+00
|
|
3.0745195819E+00 6.3501265031E-01 2.9051828752E+00
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|
2.4818411083E+00 6.3501265031E-01 2.9051828752E+00
|
|
1.2223993518E+00 -6.3501265031E-01 2.9051828752E+00
|
|
2.4818411083E+00 1.4816961841E+00 2.9051828752E+00
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6.2972087822E-01 3.5984050184E+00 4.2387094408E+00
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1.2223993518E+00 1.4816961841E+00 4.2387094408E+00
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2.4818411083E+00 2.7517214847E+00 4.2387094408E+00
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6.2972087822E-01 3.5984050184E+00 5.2388543650E-01
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3.0745195819E+00 6.3501265031E-01 5.2388543650E-01
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xangst70 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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3.0745195819E+00 3.5984050184E+00 5.2388543650E-01
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1.2223993518E+00 2.7517214847E+00 4.2387094408E+00
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2.4818411083E+00 1.4816961841E+00 4.2387094408E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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6.2972087822E-01 6.3501265031E-01 4.2387094408E+00
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2.4818411083E+00 1.4816961841E+00 5.2388543650E-01
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1.2223993518E+00 2.7517214847E+00 5.2388543650E-01
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2.4818411083E+00 2.7517214847E+00 2.9051828752E+00
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1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
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3.0745195819E+00 6.3501265031E-01 1.8574120022E+00
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6.2972087822E-01 3.5984050184E+00 1.8574120022E+00
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1.2223993518E+00 1.4816961841E+00 1.8574120022E+00
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2.4818411083E+00 2.7517214847E+00 1.8574120022E+00
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6.2972087822E-01 3.5984050184E+00 2.9051828752E+00
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3.0745195819E+00 6.3501265031E-01 2.9051828752E+00
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xangst71 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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1.2223993518E+00 1.4816961841E+00 5.2388543650E-01
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3.0745195819E+00 2.7517214847E+00 1.8574120022E+00
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2.4818411083E+00 3.5984050184E+00 1.8574120022E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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2.4818411083E+00 2.7517214847E+00 4.2387094408E+00
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6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
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1.2223993518E+00 6.3501265031E-01 2.9051828752E+00
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2.4818411083E+00 6.3501265031E-01 5.2388543650E-01
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3.0745195819E+00 1.4816961841E+00 5.2388543650E-01
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1.2223993518E+00 2.7517214847E+00 1.8574120022E+00
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6.2972087822E-01 3.5984050184E+00 1.8574120022E+00
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1.2223993518E+00 3.5984050184E+00 4.2387094408E+00
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6.2972087822E-01 2.7517214847E+00 4.2387094408E+00
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2.4818411083E+00 1.4816961841E+00 2.9051828752E+00
|
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3.0745195819E+00 6.3501265031E-01 2.9051828752E+00
|
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xangst72 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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1.2223993518E+00 1.4816961841E+00 5.2388543650E-01
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3.0745195819E+00 2.7517214847E+00 1.8574120022E+00
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2.4818411083E+00 3.5984050184E+00 1.8574120022E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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2.4818411083E+00 2.7517214847E+00 4.2387094408E+00
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6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
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1.2223993518E+00 6.3501265031E-01 2.9051828752E+00
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6.2972087822E-01 6.3501265031E-01 2.9051828752E+00
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1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
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3.0745195819E+00 2.7517214847E+00 4.2387094408E+00
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2.4818411083E+00 3.5984050184E+00 4.2387094408E+00
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3.0745195819E+00 3.5984050184E+00 1.8574120022E+00
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2.4818411083E+00 2.7517214847E+00 1.8574120022E+00
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6.2972087822E-01 1.4816961841E+00 5.2388543650E-01
|
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1.2223993518E+00 6.3501265031E-01 5.2388543650E-01
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xangst73 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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1.2223993518E+00 1.4816961841E+00 5.2388543650E-01
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3.0745195819E+00 2.7517214847E+00 1.8574120022E+00
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2.4818411083E+00 3.5984050184E+00 1.8574120022E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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2.4818411083E+00 2.7517214847E+00 4.2387094408E+00
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6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
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1.2223993518E+00 6.3501265031E-01 2.9051828752E+00
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6.2972087822E-01 2.7517214847E+00 2.9051828752E+00
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1.2223993518E+00 3.5984050184E+00 2.9051828752E+00
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3.0745195819E+00 6.3501265031E-01 4.2387094408E+00
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2.4818411083E+00 1.4816961841E+00 4.2387094408E+00
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3.0745195819E+00 1.4816961841E+00 1.8574120022E+00
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2.4818411083E+00 6.3501265031E-01 1.8574120022E+00
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6.2972087822E-01 3.5984050184E+00 5.2388543650E-01
|
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1.2223993518E+00 2.7517214847E+00 5.2388543650E-01
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xangst74 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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1.2223993518E+00 1.4816961841E+00 5.2388543650E-01
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3.0745195819E+00 2.7517214847E+00 1.8574120022E+00
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2.4818411083E+00 3.5984050184E+00 1.8574120022E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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2.4818411083E+00 2.7517214847E+00 4.2387094408E+00
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6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
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1.2223993518E+00 6.3501265031E-01 2.9051828752E+00
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2.4818411083E+00 2.7517214847E+00 5.2388543650E-01
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3.0745195819E+00 3.5984050184E+00 5.2388543650E-01
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1.2223993518E+00 6.3501265031E-01 1.8574120022E+00
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6.2972087822E-01 1.4816961841E+00 1.8574120022E+00
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1.2223993518E+00 1.4816961841E+00 4.2387094408E+00
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6.2972087822E-01 6.3501265031E-01 4.2387094408E+00
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2.4818411083E+00 3.5984050184E+00 2.9051828752E+00
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3.0745195819E+00 2.7517214847E+00 2.9051828752E+00
|
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xangst75 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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1.2223993518E+00 1.4816961841E+00 5.2388543650E-01
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3.0745195819E+00 2.7517214847E+00 1.8574120022E+00
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2.4818411083E+00 3.5984050184E+00 1.8574120022E+00
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3.0745195819E+00 3.5984050184E+00 4.2387094408E+00
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2.4818411083E+00 2.7517214847E+00 4.2387094408E+00
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6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
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1.2223993518E+00 6.3501265031E-01 2.9051828752E+00
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2.4818411083E+00 2.7517214847E+00 2.9051828752E+00
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3.0745195819E+00 3.5984050184E+00 2.9051828752E+00
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1.2223993518E+00 6.3501265031E-01 4.2387094408E+00
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6.2972087822E-01 1.4816961841E+00 4.2387094408E+00
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1.2223993518E+00 1.4816961841E+00 1.8574120022E+00
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6.2972087822E-01 6.3501265031E-01 1.8574120022E+00
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2.4818411083E+00 3.5984050184E+00 5.2388543650E-01
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3.0745195819E+00 2.7517214847E+00 5.2388543650E-01
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xcart1 1.1900000000E+00 -2.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 2.8000000000E+00 5.4900000000E+00
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1.1900000000E+00 2.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 -2.8000000000E+00 5.4900000000E+00
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4.6900000000E+00 -2.8000000000E+00 5.4900000000E+00
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2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
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4.6900000000E+00 2.8000000000E+00 5.4900000000E+00
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2.3100000000E+00 -2.8000000000E+00 5.4900000000E+00
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xcart2 1.1900000000E+00 -2.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 2.8000000000E+00 5.4900000000E+00
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1.1900000000E+00 2.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 -2.8000000000E+00 5.4900000000E+00
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1.1900000000E+00 1.2000000000E+00 5.4900000000E+00
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5.8100000000E+00 -1.2000000000E+00 5.4900000000E+00
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1.1900000000E+00 -1.2000000000E+00 5.4900000000E+00
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5.8100000000E+00 1.2000000000E+00 5.4900000000E+00
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xcart3 1.1900000000E+00 -2.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 2.8000000000E+00 5.4900000000E+00
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1.1900000000E+00 2.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 -2.8000000000E+00 5.4900000000E+00
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4.6900000000E+00 1.2000000000E+00 5.4900000000E+00
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2.3100000000E+00 -1.2000000000E+00 5.4900000000E+00
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|
4.6900000000E+00 -1.2000000000E+00 5.4900000000E+00
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2.3100000000E+00 1.2000000000E+00 5.4900000000E+00
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xcart4 1.1900000000E+00 -2.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 2.8000000000E+00 5.4900000000E+00
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1.1900000000E+00 -1.2000000000E+00 5.4900000000E+00
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5.8100000000E+00 1.2000000000E+00 5.4900000000E+00
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4.6900000000E+00 -2.8000000000E+00 5.4900000000E+00
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2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
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4.6900000000E+00 -1.2000000000E+00 5.4900000000E+00
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2.3100000000E+00 1.2000000000E+00 5.4900000000E+00
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xcart5 1.1900000000E+00 -2.8000000000E+00 5.4900000000E+00
|
|
5.8100000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
1.1900000000E+00 -1.2000000000E+00 5.4900000000E+00
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|
5.8100000000E+00 1.2000000000E+00 5.4900000000E+00
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1.1900000000E+00 1.2000000000E+00 5.4900000000E+00
|
|
5.8100000000E+00 -1.2000000000E+00 5.4900000000E+00
|
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1.1900000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
5.8100000000E+00 -2.8000000000E+00 5.4900000000E+00
|
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xcart6 1.1900000000E+00 -2.8000000000E+00 5.4900000000E+00
|
|
5.8100000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
1.1900000000E+00 -1.2000000000E+00 5.4900000000E+00
|
|
5.8100000000E+00 1.2000000000E+00 5.4900000000E+00
|
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4.6900000000E+00 1.2000000000E+00 5.4900000000E+00
|
|
2.3100000000E+00 -1.2000000000E+00 5.4900000000E+00
|
|
4.6900000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
2.3100000000E+00 -2.8000000000E+00 5.4900000000E+00
|
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xcart7 1.1900000000E+00 -2.8000000000E+00 5.4900000000E+00
|
|
5.8100000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
4.6900000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
2.3100000000E+00 -2.8000000000E+00 5.4900000000E+00
|
|
4.6900000000E+00 -2.8000000000E+00 5.4900000000E+00
|
|
2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
1.1900000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
5.8100000000E+00 -2.8000000000E+00 5.4900000000E+00
|
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xcart8 1.1900000000E+00 -2.8000000000E+00 5.4900000000E+00
|
|
5.8100000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
4.6900000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
2.3100000000E+00 -2.8000000000E+00 5.4900000000E+00
|
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1.1900000000E+00 1.2000000000E+00 5.4900000000E+00
|
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5.8100000000E+00 -1.2000000000E+00 5.4900000000E+00
|
|
4.6900000000E+00 -1.2000000000E+00 5.4900000000E+00
|
|
2.3100000000E+00 1.2000000000E+00 5.4900000000E+00
|
|
xcart9 1.1900000000E+00 -2.8000000000E+00 5.4900000000E+00
|
|
5.8100000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
4.6900000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
2.3100000000E+00 -2.8000000000E+00 5.4900000000E+00
|
|
4.6900000000E+00 1.2000000000E+00 5.4900000000E+00
|
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2.3100000000E+00 -1.2000000000E+00 5.4900000000E+00
|
|
1.1900000000E+00 -1.2000000000E+00 5.4900000000E+00
|
|
5.8100000000E+00 1.2000000000E+00 5.4900000000E+00
|
|
xcart10 1.1900000000E+00 -2.8000000000E+00 5.4900000000E+00
|
|
5.8100000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
4.6900000000E+00 -1.2000000000E+00 5.4900000000E+00
|
|
2.3100000000E+00 1.2000000000E+00 5.4900000000E+00
|
|
4.6900000000E+00 -2.8000000000E+00 5.4900000000E+00
|
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2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
1.1900000000E+00 -1.2000000000E+00 5.4900000000E+00
|
|
5.8100000000E+00 1.2000000000E+00 5.4900000000E+00
|
|
xcart11 1.1900000000E+00 -2.8000000000E+00 5.4900000000E+00
|
|
5.8100000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
4.6900000000E+00 -1.2000000000E+00 5.4900000000E+00
|
|
2.3100000000E+00 1.2000000000E+00 5.4900000000E+00
|
|
1.1900000000E+00 1.2000000000E+00 5.4900000000E+00
|
|
5.8100000000E+00 -1.2000000000E+00 5.4900000000E+00
|
|
4.6900000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
2.3100000000E+00 -2.8000000000E+00 5.4900000000E+00
|
|
xcart12 1.1900000000E+00 -2.8000000000E+00 5.4900000000E+00
|
|
5.8100000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
4.6900000000E+00 -1.2000000000E+00 5.4900000000E+00
|
|
2.3100000000E+00 1.2000000000E+00 5.4900000000E+00
|
|
4.6900000000E+00 1.2000000000E+00 5.4900000000E+00
|
|
2.3100000000E+00 -1.2000000000E+00 5.4900000000E+00
|
|
1.1900000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
5.8100000000E+00 -2.8000000000E+00 5.4900000000E+00
|
|
xcart13 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
|
|
2.3100000000E+00 2.8000000000E+00 9.9000000000E-01
|
|
4.6900000000E+00 6.8000000000E+00 5.4900000000E+00
|
|
5.8100000000E+00 5.2000000000E+00 5.4900000000E+00
|
|
4.6900000000E+00 5.2000000000E+00 5.4900000000E+00
|
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2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
4.6900000000E+00 2.8000000000E+00 5.4900000000E+00
|
|
2.3100000000E+00 5.2000000000E+00 5.4900000000E+00
|
|
xcart14 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
|
|
2.3100000000E+00 2.8000000000E+00 9.9000000000E-01
|
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2.9400000000E+00 8.0000000000E-01 3.2400000000E+00
|
|
5.6000000000E-01 3.2000000000E+00 3.2400000000E+00
|
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4.6900000000E+00 5.2000000000E+00 5.4900000000E+00
|
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2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
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2.9400000000E+00 4.8000000000E+00 3.2400000000E+00
|
|
4.0600000000E+00 3.2000000000E+00 3.2400000000E+00
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xcart15 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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|
2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
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-2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 1.2000000000E+00 9.9000000000E-01
|
|
1.1900000000E+00 1.2000000000E+00 5.4900000000E+00
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2.3100000000E+00 2.8000000000E+00 9.9000000000E-01
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1.1900000000E+00 -1.2000000000E+00 5.4900000000E+00
|
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2.3100000000E+00 5.2000000000E+00 9.9000000000E-01
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xcart16 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
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-2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 1.2000000000E+00 9.9000000000E-01
|
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4.6900000000E+00 1.2000000000E+00 9.9000000000E-01
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-1.1900000000E+00 2.8000000000E+00 5.4900000000E+00
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1.1900000000E+00 2.8000000000E+00 5.4900000000E+00
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2.3100000000E+00 1.2000000000E+00 9.9000000000E-01
|
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xcart17 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
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1.1900000000E+00 -1.2000000000E+00 5.4900000000E+00
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2.3100000000E+00 5.2000000000E+00 9.9000000000E-01
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1.1900000000E+00 1.2000000000E+00 5.4900000000E+00
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2.3100000000E+00 2.8000000000E+00 9.9000000000E-01
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-2.3100000000E+00 2.8000000000E+00 5.4900000000E+00
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5.8100000000E+00 1.2000000000E+00 9.9000000000E-01
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xcart18 1.1900000000E+00 1.2000000000E+00 9.9000000000E-01
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1.1900000000E+00 -1.2000000000E+00 5.4900000000E+00
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2.3100000000E+00 5.2000000000E+00 9.9000000000E-01
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4.6900000000E+00 1.2000000000E+00 9.9000000000E-01
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-1.1900000000E+00 2.8000000000E+00 5.4900000000E+00
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1.1900000000E+00 2.8000000000E+00 9.9000000000E-01
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2.3100000000E+00 1.2000000000E+00 5.4900000000E+00
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8.3000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
xred70 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 8.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 1.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
6.7000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 3.9000000000E-01
|
|
3.3000000000E-01 3.5000000000E-01 3.9000000000E-01
|
|
6.7000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 6.1000000000E-01
|
|
xred71 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
6.7000000000E-01 8.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 6.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 1.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 3.9000000000E-01
|
|
3.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 6.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 6.1000000000E-01
|
|
xred72 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
6.7000000000E-01 8.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 6.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 1.5000000000E-01 6.1000000000E-01
|
|
1.7000000000E-01 1.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 3.9000000000E-01
|
|
6.7000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
xred73 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
6.7000000000E-01 8.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 6.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 1.5000000000E-01 6.1000000000E-01
|
|
1.7000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 3.5000000000E-01 8.9000000000E-01
|
|
8.3000000000E-01 3.5000000000E-01 3.9000000000E-01
|
|
6.7000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
xred74 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
6.7000000000E-01 8.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 6.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 1.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 3.9000000000E-01
|
|
3.3000000000E-01 3.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 1.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
xred75 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
3.3000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
6.7000000000E-01 8.5000000000E-01 3.9000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
6.7000000000E-01 6.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 1.5000000000E-01 6.1000000000E-01
|
|
6.7000000000E-01 6.5000000000E-01 6.1000000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
3.3000000000E-01 1.5000000000E-01 8.9000000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 8.9000000000E-01
|
|
3.3000000000E-01 3.5000000000E-01 3.9000000000E-01
|
|
1.7000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
6.7000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 1.1000000000E-01
|
|
znucl 1.00000
|
|
|
|
================================================================================
|
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chkinp: Checking input parameters for consistency, jdtset= 1.
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chkinp: Checking input parameters for consistency, jdtset= 2.
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chkinp: Checking input parameters for consistency, jdtset= 3.
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chkinp: Checking input parameters for consistency, jdtset= 4.
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chkinp: Checking input parameters for consistency, jdtset= 5.
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chkinp: Checking input parameters for consistency, jdtset= 6.
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chkinp: Checking input parameters for consistency, jdtset= 7.
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chkinp: Checking input parameters for consistency, jdtset= 8.
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chkinp: Checking input parameters for consistency, jdtset= 9.
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chkinp: Checking input parameters for consistency, jdtset= 10.
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chkinp: Checking input parameters for consistency, jdtset= 11.
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chkinp: Checking input parameters for consistency, jdtset= 12.
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chkinp: Checking input parameters for consistency, jdtset= 13.
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chkinp: Checking input parameters for consistency, jdtset= 14.
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chkinp: Checking input parameters for consistency, jdtset= 15.
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chkinp: Checking input parameters for consistency, jdtset= 16.
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chkinp: Checking input parameters for consistency, jdtset= 17.
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chkinp: Checking input parameters for consistency, jdtset= 18.
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chkinp: Checking input parameters for consistency, jdtset= 19.
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chkinp: Checking input parameters for consistency, jdtset= 20.
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chkinp: Checking input parameters for consistency, jdtset= 21.
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chkinp: Checking input parameters for consistency, jdtset= 22.
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chkinp: Checking input parameters for consistency, jdtset= 23.
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chkinp: Checking input parameters for consistency, jdtset= 24.
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chkinp: Checking input parameters for consistency, jdtset= 25.
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chkinp: Checking input parameters for consistency, jdtset= 26.
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chkinp: Checking input parameters for consistency, jdtset= 27.
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chkinp: Checking input parameters for consistency, jdtset= 28.
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chkinp: Checking input parameters for consistency, jdtset= 29.
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chkinp: Checking input parameters for consistency, jdtset= 30.
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chkinp: Checking input parameters for consistency, jdtset= 31.
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chkinp: Checking input parameters for consistency, jdtset= 32.
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chkinp: Checking input parameters for consistency, jdtset= 33.
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chkinp: Checking input parameters for consistency, jdtset= 34.
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chkinp: Checking input parameters for consistency, jdtset= 35.
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chkinp: Checking input parameters for consistency, jdtset= 36.
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chkinp: Checking input parameters for consistency, jdtset= 37.
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chkinp: Checking input parameters for consistency, jdtset= 38.
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chkinp: Checking input parameters for consistency, jdtset= 39.
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chkinp: Checking input parameters for consistency, jdtset= 40.
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chkinp: Checking input parameters for consistency, jdtset= 41.
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chkinp: Checking input parameters for consistency, jdtset= 42.
|
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chkinp: Checking input parameters for consistency, jdtset= 43.
|
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chkinp: Checking input parameters for consistency, jdtset= 44.
|
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chkinp: Checking input parameters for consistency, jdtset= 45.
|
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chkinp: Checking input parameters for consistency, jdtset= 46.
|
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chkinp: Checking input parameters for consistency, jdtset= 47.
|
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chkinp: Checking input parameters for consistency, jdtset= 48.
|
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chkinp: Checking input parameters for consistency, jdtset= 49.
|
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chkinp: Checking input parameters for consistency, jdtset= 50.
|
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chkinp: Checking input parameters for consistency, jdtset= 51.
|
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chkinp: Checking input parameters for consistency, jdtset= 52.
|
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chkinp: Checking input parameters for consistency, jdtset= 53.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 54.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 55.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 56.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 57.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 58.
|
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|
chkinp: Checking input parameters for consistency, jdtset= 59.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 60.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 61.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 62.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 63.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 64.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 65.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 66.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 67.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 68.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 69.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 70.
|
|
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|
chkinp: Checking input parameters for consistency, jdtset= 71.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 72.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 73.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 74.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 75.
|
|
|
|
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= 10.9 wall= 10.9
|
|
|
|
================================================================================
|
|
|
|
Calculation completed.
|
|
.Delivered 0 WARNINGs and 77 COMMENTs to log file.
|
|
+Overall time at end (sec) : cpu= 10.9 wall= 10.9
|