mirror of https://github.com/abinit/abinit.git
943 lines
61 KiB
Plaintext
943 lines
61 KiB
Plaintext
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.Version 10.1.4.5 of ABINIT, released Sep 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 : Fri 13 Sep 2024.
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- ( at 19h08 )
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- input file -> /home/buildbot/ABINIT3/eos_gnu_13.2_mpich/trunk_merge-10.0/tests/TestBot_MPI1/v3_t25/t25.abi
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- output file -> t25.abo
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- root for input files -> t25i
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- root for output files -> t25o
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DATASET 1 : space group P1 (# 1); Bravais aP (primitive triclinic)
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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 = 3 nloc_mem = 1 nspden = 1 nspinor = 1
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nsppol = 1 nsym = 1 n1xccc = 0 ntypat = 1
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occopt = 1 xclevel = 1
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- mband = 3 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 512 nkpt = 1
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================================================================================
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P This job should need less than 0.576 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
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================================================================================
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DATASET 2 : space group P-1 (# 2); Bravais aP (primitive triclinic)
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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 = 6 nloc_mem = 1 nspden = 1 nspinor = 1
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nsppol = 1 nsym = 2 n1xccc = 0 ntypat = 1
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occopt = 1 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 512 nkpt = 1
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================================================================================
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P This job should need less than 0.612 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
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================================================================================
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DATASET 3 : space group P2 (# 3); Bravais mP (primitive monocl.)
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================================================================================
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Values of the parameters that define the memory need for DATASET 3.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 6 nloc_mem = 1 nspden = 1 nspinor = 1
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nsppol = 1 nsym = 2 n1xccc = 0 ntypat = 1
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occopt = 1 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 0.647 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 : 0.007 Mbytes.
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================================================================================
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DATASET 4 : space group P2_1 (# 4); Bravais mP (primitive monocl.)
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================================================================================
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Values of the parameters that define the memory need for DATASET 4.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 6 nloc_mem = 1 nspden = 1 nspinor = 1
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nsppol = 1 nsym = 2 n1xccc = 0 ntypat = 1
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occopt = 1 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 0.647 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 : 0.007 Mbytes.
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================================================================================
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DATASET 5 : space group C2 (# 5); Bravais mC (1-face-center monocl.)
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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 = 6 nloc_mem = 1 nspden = 1 nspinor = 1
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nsppol = 1 nsym = 2 n1xccc = 0 ntypat = 1
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occopt = 1 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 6 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 0.550 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.002 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
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================================================================================
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DATASET 6 : space group Pm (# 6); Bravais mP (primitive monocl.)
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================================================================================
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Values of the parameters that define the memory need for DATASET 6.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 6 nloc_mem = 1 nspden = 1 nspinor = 1
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nsppol = 1 nsym = 2 n1xccc = 0 ntypat = 1
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occopt = 1 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 0.647 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 : 0.007 Mbytes.
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================================================================================
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DATASET 7 : space group Pc (# 7); Bravais mP (primitive monocl.)
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================================================================================
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Values of the parameters that define the memory need for DATASET 7.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 6 nloc_mem = 1 nspden = 1 nspinor = 1
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nsppol = 1 nsym = 2 n1xccc = 0 ntypat = 1
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occopt = 1 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 0.647 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 : 0.007 Mbytes.
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================================================================================
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DATASET 8 : space group Cm (# 8); Bravais mC (1-face-center monocl.)
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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 = 6 nloc_mem = 1 nspden = 1 nspinor = 1
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nsppol = 1 nsym = 2 n1xccc = 0 ntypat = 1
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occopt = 1 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 6 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 0.550 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.002 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
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================================================================================
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DATASET 9 : space group Cc (# 9); Bravais mC (1-face-center monocl.)
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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 = 6 nloc_mem = 1 nspden = 1 nspinor = 1
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nsppol = 1 nsym = 2 n1xccc = 0 ntypat = 1
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occopt = 1 xclevel = 1
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- mband = 4 mffmem = 1 mkmem = 1
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mpw = 6 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 0.550 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.002 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
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================================================================================
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DATASET 10 : space group P2/m (# 10); Bravais mP (primitive monocl.)
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================================================================================
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Values of the parameters that define the memory need for DATASET 10.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 12 nloc_mem = 1 nspden = 1 nspinor = 1
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nsppol = 1 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 1 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 0.698 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 : 0.007 Mbytes.
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================================================================================
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DATASET 11 : space group P2_1/m (# 11); Bravais mP (primitive monocl.)
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================================================================================
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Values of the parameters that define the memory need for DATASET 11.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 12 nloc_mem = 1 nspden = 1 nspinor = 1
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nsppol = 1 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 1 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 0.698 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 : 0.007 Mbytes.
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================================================================================
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DATASET 12 : space group C2/m (# 12); Bravais mC (1-face-center monocl.)
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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 = 12 nloc_mem = 1 nspden = 1 nspinor = 1
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nsppol = 1 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 1 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 6 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 0.599 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 : 0.004 Mbytes.
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================================================================================
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DATASET 13 : space group P2/c (# 13); Bravais mP (primitive monocl.)
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================================================================================
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Values of the parameters that define the memory need for DATASET 13.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 12 nloc_mem = 1 nspden = 1 nspinor = 1
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nsppol = 1 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 1 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 0.698 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 : 0.007 Mbytes.
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================================================================================
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DATASET 14 : space group P2_1/c (# 14); Bravais mP (primitive monocl.)
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================================================================================
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Values of the parameters that define the memory need for DATASET 14.
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
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natom = 12 nloc_mem = 1 nspden = 1 nspinor = 1
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nsppol = 1 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 1 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 12 nfft = 640 nkpt = 1
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================================================================================
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P This job should need less than 0.698 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 : 0.007 Mbytes.
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================================================================================
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DATASET 15 : space group C2/c (# 15); Bravais mC (1-face-center monocl.)
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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 = 12 nloc_mem = 1 nspden = 1 nspinor = 1
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nsppol = 1 nsym = 4 n1xccc = 0 ntypat = 1
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occopt = 1 xclevel = 1
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- mband = 8 mffmem = 1 mkmem = 1
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mpw = 6 nfft = 288 nkpt = 1
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================================================================================
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P This job should need less than 0.599 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 : 0.004 Mbytes.
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================================================================================
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--------------------------------------------------------------------------------
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------------- Echo of variables that govern the present computation ------------
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--------------------------------------------------------------------------------
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-
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- outvars: echo of selected default values
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- iomode0 = 0 , fftalg0 =512 , wfoptalg0 = 0
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-
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- outvars: echo of global parameters not present in the input file
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- max_nthreads = 0
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-
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-outvars: echo values of preprocessed input variables --------
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acell1 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
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acell2 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
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acell3 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
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acell4 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
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acell5 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
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acell6 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
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acell7 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
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acell8 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
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acell9 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
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acell10 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
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acell11 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
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acell12 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
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acell13 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
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acell14 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
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acell15 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
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amu 1.00794000E+00
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ecut 1.00000000E+00 Hartree
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- fftalg 512
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istwfk 2
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jdtset 1 2 3 4 5 6 7 8 9 10
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11 12 13 14 15
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kptopt 0
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P mkmem 1
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natom1 3
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natom2 6
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natom3 6
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natom4 6
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natom5 6
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natom6 6
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natom7 6
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natom8 6
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natom9 6
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natom10 12
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natom11 12
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natom12 12
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natom13 12
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natom14 12
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natom15 12
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nband1 3
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nband2 4
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nband3 4
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nband4 4
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nband5 4
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nband6 4
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nband7 4
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nband8 4
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nband9 4
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nband10 8
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nband11 8
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nband12 8
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nband13 8
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nband14 8
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nband15 8
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ndtset 15
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ngfft1 8 8 8
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ngfft2 8 8 8
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ngfft3 8 8 10
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ngfft4 8 8 10
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ngfft5 6 6 8
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ngfft6 8 8 10
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ngfft7 8 8 10
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ngfft8 6 6 8
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ngfft9 6 6 8
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ngfft10 8 8 10
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ngfft11 8 8 10
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ngfft12 6 6 8
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ngfft13 8 8 10
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ngfft14 8 8 10
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ngfft15 6 6 8
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nkpt 1
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nline 1
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nstep 1
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nsym1 1
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nsym2 2
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nsym3 2
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nsym4 2
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nsym5 2
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nsym6 2
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nsym7 2
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nsym8 2
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nsym9 2
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nsym10 4
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nsym11 4
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nsym12 4
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nsym13 4
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nsym14 4
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nsym15 4
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ntypat 1
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occ1 2.000000 1.000000 0.000000
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occ2 2.000000 2.000000 2.000000 0.000000
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occ3 2.000000 2.000000 2.000000 0.000000
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occ4 2.000000 2.000000 2.000000 0.000000
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occ5 2.000000 2.000000 2.000000 0.000000
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occ6 2.000000 2.000000 2.000000 0.000000
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occ7 2.000000 2.000000 2.000000 0.000000
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occ8 2.000000 2.000000 2.000000 0.000000
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occ9 2.000000 2.000000 2.000000 0.000000
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occ10 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
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0.000000 0.000000
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occ11 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
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0.000000 0.000000
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occ12 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
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0.000000 0.000000
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occ13 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
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0.000000 0.000000
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occ14 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
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0.000000 0.000000
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occ15 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
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0.000000 0.000000
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prtvol -1
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rprim1 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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8.7155742748E-02 9.9619469809E-01 0.0000000000E+00
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1.7364817767E-01 3.2813435772E-01 9.2853333471E-01
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rprim2 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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8.7155742748E-02 9.9619469809E-01 0.0000000000E+00
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1.7364817767E-01 3.2813435772E-01 9.2853333471E-01
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rprim3 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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1.7364817767E-01 5.0599455709E-17 9.8480775301E-01
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rprim4 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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1.7364817767E-01 5.0599455709E-17 9.8480775301E-01
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rprim5 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
|
|
1.5628335990E+00 4.5539510139E-16 8.8632697771E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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1.7364817767E-01 5.0599455709E-17 9.8480775301E-01
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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1.7364817767E-01 5.0599455709E-17 9.8480775301E-01
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-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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1.5628335990E+00 4.5539510139E-16 8.8632697771E+00
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1.5628335990E+00 4.5539510139E-16 8.8632697771E+00
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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1.7364817767E-01 5.0599455709E-17 9.8480775301E-01
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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1.7364817767E-01 5.0599455709E-17 9.8480775301E-01
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1.5628335990E+00 4.5539510139E-16 8.8632697771E+00
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1.7364817767E-01 5.0599455709E-17 9.8480775301E-01
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6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
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1.7364817767E-01 5.0599455709E-17 9.8480775301E-01
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-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
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1.5628335990E+00 4.5539510139E-16 8.8632697771E+00
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toldfe 1.00000000E-06 Hartree
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|
|
2.3933634237E+00 7.7360000000E+00 3.0135117242E+00
|
|
4.9918694239E+00 2.5920000000E+00 6.0788735766E+00
|
|
xcart5 -2.1380883041E+00 5.2000000000E+00 9.7495967548E-01
|
|
-8.3052982466E-01 3.7360000000E+00 5.8497580529E+00
|
|
7.0964175127E-02 2.5920000000E+00 2.7843962005E+00
|
|
3.7009219031E+00 5.2000000000E+00 7.8883101016E+00
|
|
2.3933634237E+00 3.7360000000E+00 3.0135117242E+00
|
|
1.4918694239E+00 2.5920000000E+00 6.0788735766E+00
|
|
xcart6 1.3619116959E+00 1.2000000000E+00 9.7495967548E-01
|
|
6.1694701753E+00 3.7360000000E+00 5.8497580529E+00
|
|
3.5709641751E+00 6.5920000000E+00 2.7843962005E+00
|
|
1.3619116959E+00 6.8000000000E+00 9.7495967548E-01
|
|
6.1694701753E+00 4.2640000000E+00 5.8497580529E+00
|
|
3.5709641751E+00 1.4080000000E+00 2.7843962005E+00
|
|
xcart7 1.3619116959E+00 1.2000000000E+00 9.7495967548E-01
|
|
6.1694701753E+00 3.7360000000E+00 5.8497580529E+00
|
|
3.5709641751E+00 6.5920000000E+00 2.7843962005E+00
|
|
2.1433284954E+00 6.8000000000E+00 5.4065945640E+00
|
|
5.3880533758E+00 4.2640000000E+00 1.4181231643E+00
|
|
4.3523809746E+00 1.4080000000E+00 7.2160310890E+00
|
|
xcart8 -2.1380883041E+00 5.2000000000E+00 9.7495967548E-01
|
|
-8.3052982466E-01 3.7360000000E+00 5.8497580529E+00
|
|
7.0964175127E-02 2.5920000000E+00 2.7843962005E+00
|
|
-2.1380883041E+00 2.8000000000E+00 9.7495967548E-01
|
|
-8.3052982466E-01 4.2640000000E+00 5.8497580529E+00
|
|
7.0964175127E-02 5.4080000000E+00 2.7843962005E+00
|
|
xcart9 -2.1380883041E+00 5.2000000000E+00 9.7495967548E-01
|
|
-8.3052982466E-01 3.7360000000E+00 5.8497580529E+00
|
|
7.0964175127E-02 2.5920000000E+00 2.7843962005E+00
|
|
-1.3566715046E+00 2.8000000000E+00 5.4065945640E+00
|
|
-1.6119466242E+00 4.2640000000E+00 1.4181231643E+00
|
|
8.5238097463E-01 5.4080000000E+00 7.2160310890E+00
|
|
xcart10 1.3619116959E+00 1.2000000000E+00 9.7495967548E-01
|
|
6.1694701753E+00 3.7360000000E+00 5.8497580529E+00
|
|
3.5709641751E+00 6.5920000000E+00 2.7843962005E+00
|
|
7.2009219031E+00 1.2000000000E+00 7.8883101016E+00
|
|
2.3933634237E+00 3.7360000000E+00 3.0135117242E+00
|
|
4.9918694239E+00 6.5920000000E+00 6.0788735766E+00
|
|
7.2009219031E+00 6.8000000000E+00 7.8883101016E+00
|
|
2.3933634237E+00 4.2640000000E+00 3.0135117242E+00
|
|
4.9918694239E+00 1.4080000000E+00 6.0788735766E+00
|
|
1.3619116959E+00 6.8000000000E+00 9.7495967548E-01
|
|
6.1694701753E+00 4.2640000000E+00 5.8497580529E+00
|
|
3.5709641751E+00 1.4080000000E+00 2.7843962005E+00
|
|
xcart11 1.3619116959E+00 1.2000000000E+00 9.7495967548E-01
|
|
6.1694701753E+00 3.7360000000E+00 5.8497580529E+00
|
|
3.5709641751E+00 6.5920000000E+00 2.7843962005E+00
|
|
7.2009219031E+00 5.2000000000E+00 7.8883101016E+00
|
|
2.3933634237E+00 7.7360000000E+00 3.0135117242E+00
|
|
4.9918694239E+00 2.5920000000E+00 6.0788735766E+00
|
|
7.2009219031E+00 6.8000000000E+00 7.8883101016E+00
|
|
2.3933634237E+00 4.2640000000E+00 3.0135117242E+00
|
|
4.9918694239E+00 1.4080000000E+00 6.0788735766E+00
|
|
1.3619116959E+00 2.8000000000E+00 9.7495967548E-01
|
|
6.1694701753E+00 2.6400000000E-01 5.8497580529E+00
|
|
3.5709641751E+00 5.4080000000E+00 2.7843962005E+00
|
|
xcart12 -2.1380883041E+00 5.2000000000E+00 9.7495967548E-01
|
|
-8.3052982466E-01 3.7360000000E+00 5.8497580529E+00
|
|
7.0964175127E-02 2.5920000000E+00 2.7843962005E+00
|
|
3.7009219031E+00 5.2000000000E+00 7.8883101016E+00
|
|
2.3933634237E+00 3.7360000000E+00 3.0135117242E+00
|
|
1.4918694239E+00 2.5920000000E+00 6.0788735766E+00
|
|
3.7009219031E+00 2.8000000000E+00 7.8883101016E+00
|
|
2.3933634237E+00 4.2640000000E+00 3.0135117242E+00
|
|
1.4918694239E+00 5.4080000000E+00 6.0788735766E+00
|
|
-2.1380883041E+00 2.8000000000E+00 9.7495967548E-01
|
|
-8.3052982466E-01 4.2640000000E+00 5.8497580529E+00
|
|
7.0964175127E-02 5.4080000000E+00 2.7843962005E+00
|
|
xcart13 1.3619116959E+00 1.2000000000E+00 9.7495967548E-01
|
|
6.1694701753E+00 3.7360000000E+00 5.8497580529E+00
|
|
3.5709641751E+00 6.5920000000E+00 2.7843962005E+00
|
|
6.4195051036E+00 1.2000000000E+00 3.4566752131E+00
|
|
3.1747802232E+00 3.7360000000E+00 7.4451466128E+00
|
|
4.2104526244E+00 6.5920000000E+00 1.6472386881E+00
|
|
7.2009219031E+00 6.8000000000E+00 7.8883101016E+00
|
|
2.3933634237E+00 4.2640000000E+00 3.0135117242E+00
|
|
4.9918694239E+00 1.4080000000E+00 6.0788735766E+00
|
|
2.1433284954E+00 6.8000000000E+00 5.4065945640E+00
|
|
5.3880533758E+00 4.2640000000E+00 1.4181231643E+00
|
|
4.3523809746E+00 1.4080000000E+00 7.2160310890E+00
|
|
xcart14 1.3619116959E+00 1.2000000000E+00 9.7495967548E-01
|
|
6.1694701753E+00 3.7360000000E+00 5.8497580529E+00
|
|
3.5709641751E+00 6.5920000000E+00 2.7843962005E+00
|
|
6.4195051036E+00 5.2000000000E+00 3.4566752131E+00
|
|
3.1747802232E+00 7.7360000000E+00 7.4451466128E+00
|
|
4.2104526244E+00 2.5920000000E+00 1.6472386881E+00
|
|
7.2009219031E+00 6.8000000000E+00 7.8883101016E+00
|
|
2.3933634237E+00 4.2640000000E+00 3.0135117242E+00
|
|
4.9918694239E+00 1.4080000000E+00 6.0788735766E+00
|
|
2.1433284954E+00 2.8000000000E+00 5.4065945640E+00
|
|
5.3880533758E+00 2.6400000000E-01 1.4181231643E+00
|
|
4.3523809746E+00 5.4080000000E+00 7.2160310890E+00
|
|
xcart15 -2.1380883041E+00 5.2000000000E+00 9.7495967548E-01
|
|
-8.3052982466E-01 3.7360000000E+00 5.8497580529E+00
|
|
7.0964175127E-02 2.5920000000E+00 2.7843962005E+00
|
|
2.9195051036E+00 5.2000000000E+00 3.4566752131E+00
|
|
3.1747802232E+00 3.7360000000E+00 7.4451466128E+00
|
|
7.1045262437E-01 2.5920000000E+00 1.6472386881E+00
|
|
3.7009219031E+00 2.8000000000E+00 7.8883101016E+00
|
|
2.3933634237E+00 4.2640000000E+00 3.0135117242E+00
|
|
1.4918694239E+00 5.4080000000E+00 6.0788735766E+00
|
|
-1.3566715046E+00 2.8000000000E+00 5.4065945640E+00
|
|
-1.6119466242E+00 4.2640000000E+00 1.4181231643E+00
|
|
8.5238097463E-01 5.4080000000E+00 7.2160310890E+00
|
|
xred1 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
7.3400000000E-01 4.6700000000E-01 6.6000000000E-01
|
|
4.4000000000E-01 8.2400000000E-01 3.1415000000E-01
|
|
xred2 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
7.3400000000E-01 4.6700000000E-01 6.6000000000E-01
|
|
4.4000000000E-01 8.2400000000E-01 3.1415000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
2.6600000000E-01 5.3300000000E-01 3.4000000000E-01
|
|
5.6000000000E-01 1.7600000000E-01 6.8585000000E-01
|
|
xred3 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
7.3400000000E-01 4.6700000000E-01 6.6000000000E-01
|
|
4.4000000000E-01 8.2400000000E-01 3.1415000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 8.9000000000E-01
|
|
2.6600000000E-01 4.6700000000E-01 3.4000000000E-01
|
|
5.6000000000E-01 8.2400000000E-01 6.8585000000E-01
|
|
xred4 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
7.3400000000E-01 4.6700000000E-01 6.6000000000E-01
|
|
4.4000000000E-01 8.2400000000E-01 3.1415000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 8.9000000000E-01
|
|
2.6600000000E-01 9.6700000000E-01 3.4000000000E-01
|
|
5.6000000000E-01 3.2400000000E-01 6.8585000000E-01
|
|
xred5 3.2000000000E-01 9.8000000000E-01 1.1000000000E-01
|
|
2.0100000000E-01 7.3300000000E-01 6.6000000000E-01
|
|
2.6400000000E-01 3.8400000000E-01 3.1415000000E-01
|
|
9.8000000000E-01 3.2000000000E-01 8.9000000000E-01
|
|
7.3300000000E-01 2.0100000000E-01 3.4000000000E-01
|
|
3.8400000000E-01 2.6400000000E-01 6.8585000000E-01
|
|
xred6 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
7.3400000000E-01 4.6700000000E-01 6.6000000000E-01
|
|
4.4000000000E-01 8.2400000000E-01 3.1415000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
7.3400000000E-01 5.3300000000E-01 6.6000000000E-01
|
|
4.4000000000E-01 1.7600000000E-01 3.1415000000E-01
|
|
xred7 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
7.3400000000E-01 4.6700000000E-01 6.6000000000E-01
|
|
4.4000000000E-01 8.2400000000E-01 3.1415000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
7.3400000000E-01 5.3300000000E-01 1.6000000000E-01
|
|
4.4000000000E-01 1.7600000000E-01 8.1415000000E-01
|
|
xred8 3.2000000000E-01 9.8000000000E-01 1.1000000000E-01
|
|
2.0100000000E-01 7.3300000000E-01 6.6000000000E-01
|
|
2.6400000000E-01 3.8400000000E-01 3.1415000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 1.1000000000E-01
|
|
2.6700000000E-01 7.9900000000E-01 6.6000000000E-01
|
|
6.1600000000E-01 7.3600000000E-01 3.1415000000E-01
|
|
xred9 3.2000000000E-01 9.8000000000E-01 1.1000000000E-01
|
|
2.0100000000E-01 7.3300000000E-01 6.6000000000E-01
|
|
2.6400000000E-01 3.8400000000E-01 3.1415000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 6.1000000000E-01
|
|
2.6700000000E-01 7.9900000000E-01 1.6000000000E-01
|
|
6.1600000000E-01 7.3600000000E-01 8.1415000000E-01
|
|
xred10 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
7.3400000000E-01 4.6700000000E-01 6.6000000000E-01
|
|
4.4000000000E-01 8.2400000000E-01 3.1415000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 8.9000000000E-01
|
|
2.6600000000E-01 4.6700000000E-01 3.4000000000E-01
|
|
5.6000000000E-01 8.2400000000E-01 6.8585000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
2.6600000000E-01 5.3300000000E-01 3.4000000000E-01
|
|
5.6000000000E-01 1.7600000000E-01 6.8585000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 1.1000000000E-01
|
|
7.3400000000E-01 5.3300000000E-01 6.6000000000E-01
|
|
4.4000000000E-01 1.7600000000E-01 3.1415000000E-01
|
|
xred11 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
7.3400000000E-01 4.6700000000E-01 6.6000000000E-01
|
|
4.4000000000E-01 8.2400000000E-01 3.1415000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 8.9000000000E-01
|
|
2.6600000000E-01 9.6700000000E-01 3.4000000000E-01
|
|
5.6000000000E-01 3.2400000000E-01 6.8585000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
2.6600000000E-01 5.3300000000E-01 3.4000000000E-01
|
|
5.6000000000E-01 1.7600000000E-01 6.8585000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 1.1000000000E-01
|
|
7.3400000000E-01 3.3000000000E-02 6.6000000000E-01
|
|
4.4000000000E-01 6.7600000000E-01 3.1415000000E-01
|
|
xred12 3.2000000000E-01 9.8000000000E-01 1.1000000000E-01
|
|
2.0100000000E-01 7.3300000000E-01 6.6000000000E-01
|
|
2.6400000000E-01 3.8400000000E-01 3.1415000000E-01
|
|
9.8000000000E-01 3.2000000000E-01 8.9000000000E-01
|
|
7.3300000000E-01 2.0100000000E-01 3.4000000000E-01
|
|
3.8400000000E-01 2.6400000000E-01 6.8585000000E-01
|
|
6.8000000000E-01 2.0000000000E-02 8.9000000000E-01
|
|
7.9900000000E-01 2.6700000000E-01 3.4000000000E-01
|
|
7.3600000000E-01 6.1600000000E-01 6.8585000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 1.1000000000E-01
|
|
2.6700000000E-01 7.9900000000E-01 6.6000000000E-01
|
|
6.1600000000E-01 7.3600000000E-01 3.1415000000E-01
|
|
xred13 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
7.3400000000E-01 4.6700000000E-01 6.6000000000E-01
|
|
4.4000000000E-01 8.2400000000E-01 3.1415000000E-01
|
|
8.3000000000E-01 1.5000000000E-01 3.9000000000E-01
|
|
2.6600000000E-01 4.6700000000E-01 8.4000000000E-01
|
|
5.6000000000E-01 8.2400000000E-01 1.8585000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
2.6600000000E-01 5.3300000000E-01 3.4000000000E-01
|
|
5.6000000000E-01 1.7600000000E-01 6.8585000000E-01
|
|
1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
|
|
7.3400000000E-01 5.3300000000E-01 1.6000000000E-01
|
|
4.4000000000E-01 1.7600000000E-01 8.1415000000E-01
|
|
xred14 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
|
|
7.3400000000E-01 4.6700000000E-01 6.6000000000E-01
|
|
4.4000000000E-01 8.2400000000E-01 3.1415000000E-01
|
|
8.3000000000E-01 6.5000000000E-01 3.9000000000E-01
|
|
2.6600000000E-01 9.6700000000E-01 8.4000000000E-01
|
|
5.6000000000E-01 3.2400000000E-01 1.8585000000E-01
|
|
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
|
|
2.6600000000E-01 5.3300000000E-01 3.4000000000E-01
|
|
5.6000000000E-01 1.7600000000E-01 6.8585000000E-01
|
|
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
|
|
7.3400000000E-01 3.3000000000E-02 1.6000000000E-01
|
|
4.4000000000E-01 6.7600000000E-01 8.1415000000E-01
|
|
xred15 3.2000000000E-01 9.8000000000E-01 1.1000000000E-01
|
|
2.0100000000E-01 7.3300000000E-01 6.6000000000E-01
|
|
2.6400000000E-01 3.8400000000E-01 3.1415000000E-01
|
|
9.8000000000E-01 3.2000000000E-01 3.9000000000E-01
|
|
7.3300000000E-01 2.0100000000E-01 8.4000000000E-01
|
|
3.8400000000E-01 2.6400000000E-01 1.8585000000E-01
|
|
6.8000000000E-01 2.0000000000E-02 8.9000000000E-01
|
|
7.9900000000E-01 2.6700000000E-01 3.4000000000E-01
|
|
7.3600000000E-01 6.1600000000E-01 6.8585000000E-01
|
|
2.0000000000E-02 6.8000000000E-01 6.1000000000E-01
|
|
2.6700000000E-01 7.9900000000E-01 1.6000000000E-01
|
|
6.1600000000E-01 7.3600000000E-01 8.1415000000E-01
|
|
znucl 1.00000
|
|
|
|
================================================================================
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 1.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 2.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 3.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 4.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 5.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 6.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 7.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 8.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 9.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 10.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 11.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 12.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 13.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 14.
|
|
|
|
chkinp: Checking input parameters for consistency, jdtset= 15.
|
|
|
|
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= 0.5 wall= 0.5
|
|
|
|
================================================================================
|
|
|
|
Calculation completed.
|
|
.Delivered 0 WARNINGs and 17 COMMENTs to log file.
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+Overall time at end (sec) : cpu= 0.5 wall= 0.5
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