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.Version 10.2.4.2 of ABINIT, released Nov 2024.
.(MPI version, prepared for a x86_64_linux_gnu13.2 computer)
.Copyright (C) 1998-2025 ABINIT group .
ABINIT comes with ABSOLUTELY NO WARRANTY.
It is free software, and you are welcome to redistribute it
under certain conditions (GNU General Public License,
see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).
ABINIT is a project of the Universite Catholique de Louvain,
Corning Inc. and other collaborators, see ~abinit/doc/developers/contributors.txt .
Please read https://docs.abinit.org/theory/acknowledgments for suggested
acknowledgments of the ABINIT effort.
For more information, see https://www.abinit.org .
.Starting date : Wed 6 Nov 2024.
- ( at 20h10 )
- input file -> /home/buildbot/ABINIT3/eos_gnu_13.2_mpich/trunk_gonze-10.2/tests/Test_suite/v3_t38/t38.abi
- output file -> t38.abo
- root for input files -> t38i
- root for output files -> t38o
DATASET 1 : magnetic group, Shubnikov type IV
Fedorov space group P3 (#143)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
Values of the parameters that define the memory need for DATASET 1.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 6 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 6 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 6 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.463 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 2 : magnetic group, Shubnikov type IV
Fedorov space group P3_1 (#144)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
Values of the parameters that define the memory need for DATASET 2.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 6 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 6 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 6 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.463 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 3 : magnetic group, Shubnikov type IV
Fedorov space group P3_2 (#145)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
Values of the parameters that define the memory need for DATASET 3.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 6 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 6 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 6 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.463 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 4 : magnetic group, Shubnikov type IV
Fedorov space group R3 (#146)
Magnetic Bravais lattice hR_I (rhombohedral, centered magnetic, #31)
================================================================================
Values of the parameters that define the memory need for DATASET 4.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 6 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 6 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 6 mffmem = 1 mkmem = 1
mpw = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.408 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 5 : magnetic group, Shubnikov type IV
Fedorov space group P-3 (#147)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
Values of the parameters that define the memory need for DATASET 5.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 6 : magnetic group, Shubnikov type IV
Fedorov space group R-3 (#148)
Magnetic Bravais lattice hR_I (rhombohedral, centered magnetic, #31)
================================================================================
Values of the parameters that define the memory need for DATASET 6.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.438 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 7 : magnetic group, Shubnikov type IV
Fedorov space group P3 1 2 (#149)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
Values of the parameters that define the memory need for DATASET 7.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 8 : magnetic group, Shubnikov type IV
Fedorov space group P3 2 1 (#150)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
Values of the parameters that define the memory need for DATASET 8.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 9 : magnetic group, Shubnikov type IV
Fedorov space group P3_1 1 2 (#151)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
Values of the parameters that define the memory need for DATASET 9.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 10 : magnetic group, Shubnikov type IV
Fedorov space group P3_1 2 1 (#152)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
Values of the parameters that define the memory need for DATASET 10.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 11 : magnetic group, Shubnikov type IV
Fedorov space group P3_2 1 2 (#153)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
Values of the parameters that define the memory need for DATASET 11.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 12 : magnetic group, Shubnikov type IV
Fedorov space group P3_2 2 1 (#154)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
Values of the parameters that define the memory need for DATASET 12.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 13 : magnetic group, Shubnikov type IV
Fedorov space group R3 2 (#155)
Magnetic Bravais lattice hR_I (rhombohedral, centered magnetic, #31)
================================================================================
Values of the parameters that define the memory need for DATASET 13.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.438 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 14 : magnetic group, Shubnikov type IV
Fedorov space group P3 m 1 (#156)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
Values of the parameters that define the memory need for DATASET 14.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 15 : magnetic group, Shubnikov type IV
Fedorov space group P3 1 m (#157)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
Values of the parameters that define the memory need for DATASET 15.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 16 : magnetic group, Shubnikov type IV
Fedorov space group P3 c 1 (#158)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
Values of the parameters that define the memory need for DATASET 16.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 17 : magnetic group, Shubnikov type IV
Fedorov space group P3 1 c (#159)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
Values of the parameters that define the memory need for DATASET 17.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 18 : magnetic group, Shubnikov type IV
Fedorov space group R3 m (#160)
Magnetic Bravais lattice hR_I (rhombohedral, centered magnetic, #31)
================================================================================
Values of the parameters that define the memory need for DATASET 18.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.438 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 19 : magnetic group, Shubnikov type IV
Fedorov space group R3 c (#161)
Magnetic Bravais lattice hR_I (rhombohedral, centered magnetic, #31)
================================================================================
Values of the parameters that define the memory need for DATASET 19.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.438 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 20 : magnetic group, Shubnikov type IV
Fedorov space group P-3 1 m (#162)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
Values of the parameters that define the memory need for DATASET 20.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 21 : magnetic group, Shubnikov type IV
Fedorov space group P-3 1 c (#163)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
Values of the parameters that define the memory need for DATASET 21.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 22 : magnetic group, Shubnikov type IV
Fedorov space group P-3 m 1 (#164)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 23 : magnetic group, Shubnikov type IV
Fedorov space group P-3 c 1 (#165)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 24 : magnetic group, Shubnikov type IV
Fedorov space group R-3 m (#166)
Magnetic Bravais lattice hR_I (rhombohedral, centered magnetic, #31)
================================================================================
Values of the parameters that define the memory need for DATASET 24.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.514 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.012 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 25 : magnetic group, Shubnikov type IV
Fedorov space group R-3 c (#167)
Magnetic Bravais lattice hR_I (rhombohedral, centered magnetic, #31)
================================================================================
Values of the parameters that define the memory need for DATASET 25.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.514 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.012 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 26 : magnetic group, Shubnikov type IV
Fedorov space group P6 (#168)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 27 : magnetic group, Shubnikov type IV
Fedorov space group P6_1 (#169)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 28 : magnetic group, Shubnikov type IV
Fedorov space group P6_5 (#170)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 29 : magnetic group, Shubnikov type IV
Fedorov space group P6_2 (#171)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 30 : magnetic group, Shubnikov type IV
Fedorov space group P6_4 (#172)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 31 : magnetic group, Shubnikov type IV
Fedorov space group P6_3 (#173)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 32 : magnetic group, Shubnikov type IV
Fedorov space group P-6 (#174)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 33 : magnetic group, Shubnikov type IV
Fedorov space group P6/m (#175)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 34 : magnetic group, Shubnikov type IV
Fedorov space group P6_3/m (#176)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 35 : magnetic group, Shubnikov type IV
Fedorov space group P6 2 2 (#177)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 36 : magnetic group, Shubnikov type IV
Fedorov space group P6_1 2 2 (#178)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 37 : magnetic group, Shubnikov type IV
Fedorov space group P6_5 2 2 (#179)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 38 : magnetic group, Shubnikov type IV
Fedorov space group P6_2 2 2 (#180)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 39 : magnetic group, Shubnikov type IV
Fedorov space group P6_4 2 2 (#181)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 40 : magnetic group, Shubnikov type IV
Fedorov space group P6_3 2 2 (#182)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 41 : magnetic group, Shubnikov type IV
Fedorov space group P6 m m (#183)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 42 : magnetic group, Shubnikov type IV
Fedorov space group P6 c c (#184)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 43 : magnetic group, Shubnikov type IV
Fedorov space group P6_3 c m (#185)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 44 : magnetic group, Shubnikov type IV
Fedorov space group P6_3 m c (#186)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 45 : magnetic group, Shubnikov type IV
Fedorov space group P-6 m 2 (#187)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 46 : magnetic group, Shubnikov type IV
Fedorov space group P-6 c 2 (#188)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 47 : magnetic group, Shubnikov type IV
Fedorov space group P-6 2 m (#189)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 48 : magnetic group, Shubnikov type IV
Fedorov space group P-6 2 c (#190)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 49 : magnetic group, Shubnikov type IV
Fedorov space group P6/m m m (#191)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 48 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 48 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 48 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.819 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.020 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 50 : magnetic group, Shubnikov type IV
Fedorov space group P6/m c c (#192)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 48 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 48 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 48 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.819 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.020 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 51 : magnetic group, Shubnikov type IV
Fedorov space group P6_3/m c m (#193)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 48 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 48 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 48 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.819 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.020 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 52 : magnetic group, Shubnikov type IV
Fedorov space group P6_3/m m c (#194)
Magnetic Bravais lattice hP_c (primitive hexag., c-magnetic, #29)
================================================================================
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 = 48 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 48 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 48 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.819 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.020 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 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell2 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell3 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell4 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell5 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell6 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell7 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell8 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell9 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell10 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell11 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell12 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell13 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell14 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell15 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell16 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell17 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell18 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell19 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell20 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell21 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell22 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell23 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell24 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell25 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell26 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell27 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell28 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell29 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell30 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell31 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell32 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell33 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell34 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell35 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell36 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell37 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell38 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell39 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell40 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell41 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell42 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell43 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell44 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell45 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell46 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell47 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell48 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell49 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell50 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell51 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell52 8.0000000000E+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
kptopt 0
P mkmem 1
natom1 6
natom2 6
natom3 6
natom4 6
natom5 12
natom6 12
natom7 12
natom8 12
natom9 12
natom10 12
natom11 12
natom12 12
natom13 12
natom14 12
natom15 12
natom16 12
natom17 12
natom18 12
natom19 12
natom20 24
natom21 24
natom22 24
natom23 24
natom24 24
natom25 24
natom26 12
natom27 12
natom28 12
natom29 12
natom30 12
natom31 12
natom32 12
natom33 24
natom34 24
natom35 24
natom36 24
natom37 24
natom38 24
natom39 24
natom40 24
natom41 24
natom42 24
natom43 24
natom44 24
natom45 24
natom46 24
natom47 24
natom48 24
natom49 48
natom50 48
natom51 48
natom52 48
nband1 6
nband2 6
nband3 6
nband4 6
nband5 12
nband6 12
nband7 12
nband8 12
nband9 12
nband10 12
nband11 12
nband12 12
nband13 12
nband14 12
nband15 12
nband16 12
nband17 12
nband18 12
nband19 12
nband20 24
nband21 24
nband22 24
nband23 24
nband24 24
nband25 24
nband26 12
nband27 12
nband28 12
nband29 12
nband30 12
nband31 12
nband32 12
nband33 24
nband34 24
nband35 24
nband36 24
nband37 24
nband38 24
nband39 24
nband40 24
nband41 24
nband42 24
nband43 24
nband44 24
nband45 24
nband46 24
nband47 24
nband48 24
nband49 48
nband50 48
nband51 48
nband52 48
ndtset 52
ngfft1 8 8 10
ngfft2 8 8 10
ngfft3 8 8 10
ngfft4 8 8 8
ngfft5 8 8 10
ngfft6 8 8 8
ngfft7 8 8 10
ngfft8 8 8 10
ngfft9 8 8 10
ngfft10 8 8 10
ngfft11 8 8 10
ngfft12 8 8 10
ngfft13 8 8 8
ngfft14 8 8 10
ngfft15 8 8 10
ngfft16 8 8 10
ngfft17 8 8 10
ngfft18 8 8 8
ngfft19 8 8 8
ngfft20 8 8 10
ngfft21 8 8 10
ngfft22 8 8 10
ngfft23 8 8 10
ngfft24 8 8 8
ngfft25 8 8 8
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
nkpt 1
nline 1
nspden 2
nsppol 2
nstep 1
nsym1 6
nsym2 6
nsym3 6
nsym4 6
nsym5 12
nsym6 12
nsym7 12
nsym8 12
nsym9 12
nsym10 12
nsym11 12
nsym12 12
nsym13 12
nsym14 12
nsym15 12
nsym16 12
nsym17 12
nsym18 12
nsym19 12
nsym20 24
nsym21 24
nsym22 24
nsym23 24
nsym24 24
nsym25 24
nsym26 12
nsym27 12
nsym28 12
nsym29 12
nsym30 12
nsym31 12
nsym32 12
nsym33 24
nsym34 24
nsym35 24
nsym36 24
nsym37 24
nsym38 24
nsym39 24
nsym40 24
nsym41 24
nsym42 24
nsym43 24
nsym44 24
nsym45 24
nsym46 24
nsym47 24
nsym48 24
nsym49 48
nsym50 48
nsym51 48
nsym52 48
ntypat 1
occ1 1.000000 1.000000 1.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 0.000000 0.000000 0.000000
occ2 1.000000 1.000000 1.000000 0.000000 0.000000 0.000000
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occ3 1.000000 1.000000 1.000000 0.000000 0.000000 0.000000
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occ4 1.000000 1.000000 1.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 0.000000 0.000000 0.000000
occ5 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ6 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ7 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ8 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ9 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ10 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ11 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ12 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ13 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ14 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ15 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ16 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ17 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ18 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ19 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ20 1.000000 1.000000 1.000000 1.000000 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
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1.000000 1.000000 1.000000 1.000000 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 0.000000 0.000000 0.000000 0.000000
occ21 1.000000 1.000000 1.000000 1.000000 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
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1.000000 1.000000 1.000000 1.000000 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 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 1.000000 1.000000 1.000000 1.000000
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 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 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 1.000000 1.000000 1.000000 1.000000
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 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
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occ24 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 1.000000 1.000000 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
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occ25 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
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occ26 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ28 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ30 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ32 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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 1.000000 1.000000 1.000000 1.000000
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 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
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occ34 1.000000 1.000000 1.000000 1.000000 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
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1.000000 1.000000 1.000000 1.000000 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 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 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 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 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 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 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 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 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 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 1.000000 1.000000 1.000000 1.000000
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 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 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 1.000000 1.000000 1.000000 1.000000
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 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 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 1.000000 1.000000 1.000000 1.000000
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 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 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 1.000000 1.000000 1.000000 1.000000
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 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 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 1.000000 1.000000 1.000000 1.000000
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 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 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 1.000000 1.000000 1.000000 1.000000
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 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
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occ43 1.000000 1.000000 1.000000 1.000000 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
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1.000000 1.000000 1.000000 1.000000 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 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 1.000000 1.000000 1.000000 1.000000
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 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 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
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ46 1.000000 1.000000 1.000000 1.000000 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
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1.000000 1.000000 1.000000 1.000000 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 0.000000 0.000000 0.000000 0.000000
occ47 1.000000 1.000000 1.000000 1.000000 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
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1.000000 1.000000 1.000000 1.000000 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 0.000000 0.000000 0.000000 0.000000
occ48 1.000000 1.000000 1.000000 1.000000 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 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 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 0.000000 0.000000 0.000000 0.000000
occ49 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 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
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ50 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ51 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ52 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 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
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1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 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
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0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occopt 7
prtvol -1
rprim1 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
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toldfe 1.00000000E-06 Hartree
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xangst1 4.0217467853E-01 5.4993708689E-01 5.2388543650E-01
2.3918809828E+00 3.0429852141E+00 5.2388543650E-01
3.5560708417E+00 7.3324944919E-02 5.2388543650E-01
4.0217467853E-01 5.4993708689E-01 2.9051828752E+00
2.3918809828E+00 3.0429852141E+00 2.9051828752E+00
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xangst2 4.0217467853E-01 5.4993708689E-01 5.2388543650E-01
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2.3918809828E+00 3.0429852141E+00 1.3176512494E+00
3.5560708417E+00 7.3324944919E-02 4.4927145009E+00
xangst3 4.0217467853E-01 5.4993708689E-01 5.2388543650E-01
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2.3918809828E+00 3.0429852141E+00 4.4927145009E+00
3.5560708417E+00 7.3324944919E-02 1.3176512494E+00
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1.3210030603E-01 1.1440222087E-01 5.1118659185E+00
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2.0000000000E-02 1.7000000000E-01 1.1000000000E-01
1.5000000000E-01 1.7000000000E-01 6.1000000000E-01
8.5000000000E-01 2.0000000000E-02 6.1000000000E-01
9.8000000000E-01 1.5000000000E-01 1.1000000000E-01
1.7000000000E-01 2.0000000000E-02 1.1000000000E-01
8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
8.3000000000E-01 9.8000000000E-01 6.1000000000E-01
2.0000000000E-02 8.5000000000E-01 6.1000000000E-01
1.5000000000E-01 9.8000000000E-01 1.1000000000E-01
9.8000000000E-01 8.3000000000E-01 6.1000000000E-01
8.5000000000E-01 8.3000000000E-01 1.1000000000E-01
8.3000000000E-01 8.5000000000E-01 3.9000000000E-01
9.8000000000E-01 8.3000000000E-01 8.9000000000E-01
8.5000000000E-01 8.3000000000E-01 3.9000000000E-01
1.5000000000E-01 9.8000000000E-01 3.9000000000E-01
2.0000000000E-02 8.5000000000E-01 8.9000000000E-01
8.3000000000E-01 9.8000000000E-01 8.9000000000E-01
1.7000000000E-01 1.5000000000E-01 8.9000000000E-01
1.7000000000E-01 2.0000000000E-02 3.9000000000E-01
9.8000000000E-01 1.5000000000E-01 3.9000000000E-01
8.5000000000E-01 2.0000000000E-02 8.9000000000E-01
2.0000000000E-02 1.7000000000E-01 3.9000000000E-01
1.5000000000E-01 1.7000000000E-01 8.9000000000E-01
xred52 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
2.0000000000E-02 1.7000000000E-01 6.1000000000E-01
1.5000000000E-01 1.7000000000E-01 6.1000000000E-01
8.5000000000E-01 2.0000000000E-02 1.1000000000E-01
9.8000000000E-01 1.5000000000E-01 1.1000000000E-01
1.7000000000E-01 2.0000000000E-02 1.1000000000E-01
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
8.3000000000E-01 9.8000000000E-01 6.1000000000E-01
2.0000000000E-02 8.5000000000E-01 6.1000000000E-01
1.5000000000E-01 9.8000000000E-01 6.1000000000E-01
9.8000000000E-01 8.3000000000E-01 1.1000000000E-01
8.5000000000E-01 8.3000000000E-01 1.1000000000E-01
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
9.8000000000E-01 8.3000000000E-01 3.9000000000E-01
8.5000000000E-01 8.3000000000E-01 3.9000000000E-01
1.5000000000E-01 9.8000000000E-01 8.9000000000E-01
2.0000000000E-02 8.5000000000E-01 8.9000000000E-01
8.3000000000E-01 9.8000000000E-01 8.9000000000E-01
1.7000000000E-01 1.5000000000E-01 3.9000000000E-01
1.7000000000E-01 2.0000000000E-02 3.9000000000E-01
9.8000000000E-01 1.5000000000E-01 3.9000000000E-01
8.5000000000E-01 2.0000000000E-02 3.9000000000E-01
2.0000000000E-02 1.7000000000E-01 8.9000000000E-01
1.5000000000E-01 1.7000000000E-01 8.9000000000E-01
1.7000000000E-01 1.5000000000E-01 6.1000000000E-01
2.0000000000E-02 1.7000000000E-01 1.1000000000E-01
1.5000000000E-01 1.7000000000E-01 1.1000000000E-01
8.5000000000E-01 2.0000000000E-02 6.1000000000E-01
9.8000000000E-01 1.5000000000E-01 6.1000000000E-01
1.7000000000E-01 2.0000000000E-02 6.1000000000E-01
8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
8.3000000000E-01 9.8000000000E-01 1.1000000000E-01
2.0000000000E-02 8.5000000000E-01 1.1000000000E-01
1.5000000000E-01 9.8000000000E-01 1.1000000000E-01
9.8000000000E-01 8.3000000000E-01 6.1000000000E-01
8.5000000000E-01 8.3000000000E-01 6.1000000000E-01
8.3000000000E-01 8.5000000000E-01 3.9000000000E-01
9.8000000000E-01 8.3000000000E-01 8.9000000000E-01
8.5000000000E-01 8.3000000000E-01 8.9000000000E-01
1.5000000000E-01 9.8000000000E-01 3.9000000000E-01
2.0000000000E-02 8.5000000000E-01 3.9000000000E-01
8.3000000000E-01 9.8000000000E-01 3.9000000000E-01
1.7000000000E-01 1.5000000000E-01 8.9000000000E-01
1.7000000000E-01 2.0000000000E-02 8.9000000000E-01
9.8000000000E-01 1.5000000000E-01 8.9000000000E-01
8.5000000000E-01 2.0000000000E-02 8.9000000000E-01
2.0000000000E-02 1.7000000000E-01 3.9000000000E-01
1.5000000000E-01 1.7000000000E-01 3.9000000000E-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.
chkinp: Checking input parameters for consistency, jdtset= 16.
chkinp: Checking input parameters for consistency, jdtset= 17.
chkinp: Checking input parameters for consistency, jdtset= 18.
chkinp: Checking input parameters for consistency, jdtset= 19.
chkinp: Checking input parameters for consistency, jdtset= 20.
chkinp: Checking input parameters for consistency, jdtset= 21.
chkinp: Checking input parameters for consistency, jdtset= 22.
chkinp: Checking input parameters for consistency, jdtset= 23.
chkinp: Checking input parameters for consistency, jdtset= 24.
chkinp: Checking input parameters for consistency, jdtset= 25.
chkinp: Checking input parameters for consistency, jdtset= 26.
chkinp: Checking input parameters for consistency, jdtset= 27.
chkinp: Checking input parameters for consistency, jdtset= 28.
chkinp: Checking input parameters for consistency, jdtset= 29.
chkinp: Checking input parameters for consistency, jdtset= 30.
chkinp: Checking input parameters for consistency, jdtset= 31.
chkinp: Checking input parameters for consistency, jdtset= 32.
chkinp: Checking input parameters for consistency, jdtset= 33.
chkinp: Checking input parameters for consistency, jdtset= 34.
chkinp: Checking input parameters for consistency, jdtset= 35.
chkinp: Checking input parameters for consistency, jdtset= 36.
chkinp: Checking input parameters for consistency, jdtset= 37.
chkinp: Checking input parameters for consistency, jdtset= 38.
chkinp: Checking input parameters for consistency, jdtset= 39.
chkinp: Checking input parameters for consistency, jdtset= 40.
chkinp: Checking input parameters for consistency, jdtset= 41.
chkinp: Checking input parameters for consistency, jdtset= 42.
chkinp: Checking input parameters for consistency, jdtset= 43.
chkinp: Checking input parameters for consistency, jdtset= 44.
chkinp: Checking input parameters for consistency, jdtset= 45.
chkinp: Checking input parameters for consistency, jdtset= 46.
chkinp: Checking input parameters for consistency, jdtset= 47.
chkinp: Checking input parameters for consistency, jdtset= 48.
chkinp: Checking input parameters for consistency, jdtset= 49.
chkinp: Checking input parameters for consistency, jdtset= 50.
chkinp: Checking input parameters for consistency, jdtset= 51.
chkinp: Checking input parameters for consistency, jdtset= 52.
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= 4.4 wall= 4.4
================================================================================
Calculation completed.
.Delivered 0 WARNINGs and 54 COMMENTs to log file.
+Overall time at end (sec) : cpu= 4.4 wall= 4.4
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