abinit/tests/v3/Refs/t39.abo

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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_t39/t39.abi
- output file -> t39.abo
- root for input files -> t39i
- root for output files -> t39o
DATASET 1 : magnetic group, Shubnikov type IV
Fedorov space group P2 3 (#195)
Magnetic Bravais lattice cP_I (primitive cubic, inner magnetic, #33)
================================================================================
Values of the parameters that define the memory need for DATASET 1.
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 2 : magnetic group, Shubnikov type IV
Fedorov space group F2 3 (#196)
Magnetic Bravais lattice cF_s (face-center cubic, simple cubic magnetic, #35)
================================================================================
Values of the parameters that define the memory need for DATASET 2.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 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 = 5 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.376 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 3 : magnetic group, Shubnikov type IV
Fedorov space group P2_1 3 (#198)
Magnetic Bravais lattice cP_I (primitive cubic, inner magnetic, #33)
================================================================================
Values of the parameters that define the memory need for DATASET 3.
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 4 : magnetic group, Shubnikov type IV
Fedorov space group Pm -3 (#200)
Magnetic Bravais lattice cP_I (primitive cubic, inner magnetic, #33)
================================================================================
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 = 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 = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.759 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.023 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 5 : magnetic group, Shubnikov type IV
Fedorov space group Pn -3 (#201)
Magnetic Bravais lattice cP_I (primitive cubic, inner magnetic, #33)
================================================================================
Values of the parameters that define the memory need for DATASET 5.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 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 = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.759 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.023 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 6 : magnetic group, Shubnikov type IV
Fedorov space group Fm -3 (#202)
Magnetic Bravais lattice cF_s (face-center cubic, simple cubic magnetic, #35)
================================================================================
Values of the parameters that define the memory need for DATASET 6.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 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 = 5 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.610 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 7 : magnetic group, Shubnikov type IV
Fedorov space group Fd -3 (#203)
Magnetic Bravais lattice cF_s (face-center cubic, simple cubic magnetic, #35)
================================================================================
Values of the parameters that define the memory need for DATASET 7.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 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 = 5 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.610 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 8 : magnetic group, Shubnikov type IV
Fedorov space group Pa -3 (#205)
Magnetic Bravais lattice cP_I (primitive cubic, inner magnetic, #33)
================================================================================
Values of the parameters that define the memory need for DATASET 8.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 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 = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.759 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.023 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 9 : magnetic group, Shubnikov type IV
Fedorov space group P4 3 2 (#207)
Magnetic Bravais lattice cP_I (primitive cubic, inner magnetic, #33)
================================================================================
Values of the parameters that define the memory need for DATASET 9.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 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 = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.759 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.023 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 10 : magnetic group, Shubnikov type IV
Fedorov space group P4_2 3 2 (#208)
Magnetic Bravais lattice cP_I (primitive cubic, inner magnetic, #33)
================================================================================
Values of the parameters that define the memory need for DATASET 10.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 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 = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.759 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.023 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 11 : magnetic group, Shubnikov type IV
Fedorov space group F4 3 2 (#209)
Magnetic Bravais lattice cF_s (face-center cubic, simple cubic magnetic, #35)
================================================================================
Values of the parameters that define the memory need for DATASET 11.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 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 = 5 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.610 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 12 : magnetic group, Shubnikov type IV
Fedorov space group F4_1 3 2 (#210)
Magnetic Bravais lattice cF_s (face-center cubic, simple cubic magnetic, #35)
================================================================================
Values of the parameters that define the memory need for DATASET 12.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 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 = 5 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.610 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 13 : magnetic group, Shubnikov type IV
Fedorov space group P4_3 3 2 (#212)
Magnetic Bravais lattice cP_I (primitive cubic, inner magnetic, #33)
================================================================================
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 = 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 = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.759 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.023 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 14 : magnetic group, Shubnikov type IV
Fedorov space group P4_1 3 2 (#213)
Magnetic Bravais lattice cP_I (primitive cubic, inner magnetic, #33)
================================================================================
Values of the parameters that define the memory need for DATASET 14.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 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 = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.759 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.023 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 15 : magnetic group, Shubnikov type IV
Fedorov space group P-4 3 m (#215)
Magnetic Bravais lattice cP_I (primitive cubic, inner magnetic, #33)
================================================================================
Values of the parameters that define the memory need for DATASET 15.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 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 = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.759 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.023 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 16 : magnetic group, Shubnikov type IV
Fedorov space group F-4 3 m (#216)
Magnetic Bravais lattice cF_s (face-center cubic, simple cubic magnetic, #35)
================================================================================
Values of the parameters that define the memory need for DATASET 16.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 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 = 5 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.610 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 17 : magnetic group, Shubnikov type IV
Fedorov space group P-4 3 n (#218)
Magnetic Bravais lattice cP_I (primitive cubic, inner magnetic, #33)
================================================================================
Values of the parameters that define the memory need for DATASET 17.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 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 = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.759 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.023 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 18 : magnetic group, Shubnikov type IV
Fedorov space group F-4 3 c (#219)
Magnetic Bravais lattice cF_s (face-center cubic, simple cubic magnetic, #35)
================================================================================
Values of the parameters that define the memory need for DATASET 18.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 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 = 5 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.610 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 19 : magnetic group, Shubnikov type IV
Fedorov space group Pm -3 m (#221)
Magnetic Bravais lattice cP_I (primitive cubic, inner magnetic, #33)
================================================================================
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 = 96 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 96 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 96 mffmem = 1 mkmem = 1
mpw = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 2.618 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.043 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 20 : magnetic group, Shubnikov type IV
Fedorov space group Pn -3 n (#222)
Magnetic Bravais lattice cP_I (primitive cubic, inner magnetic, #33)
================================================================================
Values of the parameters that define the memory need for DATASET 20.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 96 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 96 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 96 mffmem = 1 mkmem = 1
mpw = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 2.618 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.043 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 21 : magnetic group, Shubnikov type IV
Fedorov space group Pm -3 n (#223)
Magnetic Bravais lattice cP_I (primitive cubic, inner magnetic, #33)
================================================================================
Values of the parameters that define the memory need for DATASET 21.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 96 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 96 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 96 mffmem = 1 mkmem = 1
mpw = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 2.618 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.043 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 22 : magnetic group, Shubnikov type IV
Fedorov space group Pn -3 m (#224)
Magnetic Bravais lattice cP_I (primitive cubic, inner magnetic, #33)
================================================================================
Values of the parameters that define the memory need for DATASET 22.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 96 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 96 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 96 mffmem = 1 mkmem = 1
mpw = 14 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 2.618 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.043 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 23 : magnetic group, Shubnikov type IV
Fedorov space group Fm -3 m (#225)
Magnetic Bravais lattice cF_s (face-center cubic, simple cubic magnetic, #35)
================================================================================
Values of the parameters that define the memory need for DATASET 23.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 96 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 96 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 96 mffmem = 1 mkmem = 1
mpw = 5 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 2.447 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.017 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 24 : magnetic group, Shubnikov type IV
Fedorov space group Fm -3 c (#226)
Magnetic Bravais lattice cF_s (face-center cubic, simple cubic magnetic, #35)
================================================================================
Values of the parameters that define the memory need for DATASET 24.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 96 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 96 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 96 mffmem = 1 mkmem = 1
mpw = 5 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 2.447 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.017 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 25 : magnetic group, Shubnikov type IV
Fedorov space group Fd -3 m (#227)
Magnetic Bravais lattice cF_s (face-center cubic, simple cubic magnetic, #35)
================================================================================
Values of the parameters that define the memory need for DATASET 25.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 96 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 96 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 96 mffmem = 1 mkmem = 1
mpw = 5 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 2.447 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.017 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 26 : magnetic group, Shubnikov type IV
Fedorov space group Fd -3 c (#228)
Magnetic Bravais lattice cF_s (face-center cubic, simple cubic magnetic, #35)
================================================================================
Values of the parameters that define the memory need for DATASET 26.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 96 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 96 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 96 mffmem = 1 mkmem = 1
mpw = 5 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 2.447 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.017 Mbytes ; DEN or POT disk file : 0.005 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 8.0000000000E+00 Bohr
acell2 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell3 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell4 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell5 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell6 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell7 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell8 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell9 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell10 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell11 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell12 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell13 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell14 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell15 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell16 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell17 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell18 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell19 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell20 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell21 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell22 8.0000000000E+00 8.0000000000E+00 8.0000000000E+00 Bohr
acell23 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell24 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell25 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell26 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
amu 1.00794000E+00
ecut 1.00000000E+00 Hartree
- fftalg 512
istwfk 2
jdtset 1 2 3 4 5 6 7 8 9 10
11 12 13 14 15 16 17 18 19 20
21 22 23 24 25 26
kptopt 0
P mkmem 1
natom1 24
natom2 24
natom3 24
natom4 48
natom5 48
natom6 48
natom7 48
natom8 48
natom9 48
natom10 48
natom11 48
natom12 48
natom13 48
natom14 48
natom15 48
natom16 48
natom17 48
natom18 48
natom19 96
natom20 96
natom21 96
natom22 96
natom23 96
natom24 96
natom25 96
natom26 96
nband1 24
nband2 24
nband3 24
nband4 48
nband5 48
nband6 48
nband7 48
nband8 48
nband9 48
nband10 48
nband11 48
nband12 48
nband13 48
nband14 48
nband15 48
nband16 48
nband17 48
nband18 48
nband19 96
nband20 96
nband21 96
nband22 96
nband23 96
nband24 96
nband25 96
nband26 96
ndtset 26
ngfft1 8 8 8
ngfft2 6 6 6
ngfft3 8 8 8
ngfft4 8 8 8
ngfft5 8 8 8
ngfft6 6 6 6
ngfft7 6 6 6
ngfft8 8 8 8
ngfft9 8 8 8
ngfft10 8 8 8
ngfft11 6 6 6
ngfft12 6 6 6
ngfft13 8 8 8
ngfft14 8 8 8
ngfft15 8 8 8
ngfft16 6 6 6
ngfft17 8 8 8
ngfft18 6 6 6
ngfft19 8 8 8
ngfft20 8 8 8
ngfft21 8 8 8
ngfft22 8 8 8
ngfft23 6 6 6
ngfft24 6 6 6
ngfft25 6 6 6
ngfft26 6 6 6
nkpt 1
nline 1
nspden 2
nsppol 2
nstep 1
nsym1 24
nsym2 24
nsym3 24
nsym4 48
nsym5 48
nsym6 48
nsym7 48
nsym8 48
nsym9 48
nsym10 48
nsym11 48
nsym12 48
nsym13 48
nsym14 48
nsym15 48
nsym16 48
nsym17 48
nsym18 48
nsym19 96
nsym20 96
nsym21 96
nsym22 96
nsym23 96
nsym24 96
nsym25 96
nsym26 96
ntypat 1
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occ2 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ4 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ5 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ6 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ8 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ9 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ10 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ11 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ12 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ13 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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occ14 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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occ15 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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occ16 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ17 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
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occ19 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ20 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ21 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ22 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ23 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ24 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ25 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ26 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occopt 7
prtvol -1
rprim1 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 1.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
rprim2 0.0000000000E+00 4.0000000000E+00 4.0000000000E+00
4.0000000000E+00 0.0000000000E+00 4.0000000000E+00
4.0000000000E+00 4.0000000000E+00 0.0000000000E+00
rprim3 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 1.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
rprim4 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 1.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
rprim5 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 1.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
rprim6 0.0000000000E+00 4.0000000000E+00 4.0000000000E+00
4.0000000000E+00 0.0000000000E+00 4.0000000000E+00
4.0000000000E+00 4.0000000000E+00 0.0000000000E+00
rprim7 0.0000000000E+00 4.0000000000E+00 4.0000000000E+00
4.0000000000E+00 0.0000000000E+00 4.0000000000E+00
4.0000000000E+00 4.0000000000E+00 0.0000000000E+00
rprim8 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 1.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
rprim9 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 1.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
rprim10 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 1.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
rprim11 0.0000000000E+00 4.0000000000E+00 4.0000000000E+00
4.0000000000E+00 0.0000000000E+00 4.0000000000E+00
4.0000000000E+00 4.0000000000E+00 0.0000000000E+00
rprim12 0.0000000000E+00 4.0000000000E+00 4.0000000000E+00
4.0000000000E+00 0.0000000000E+00 4.0000000000E+00
4.0000000000E+00 4.0000000000E+00 0.0000000000E+00
rprim13 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 1.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
rprim14 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 1.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
rprim15 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 1.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
rprim16 0.0000000000E+00 4.0000000000E+00 4.0000000000E+00
4.0000000000E+00 0.0000000000E+00 4.0000000000E+00
4.0000000000E+00 4.0000000000E+00 0.0000000000E+00
rprim17 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 1.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
rprim18 0.0000000000E+00 4.0000000000E+00 4.0000000000E+00
4.0000000000E+00 0.0000000000E+00 4.0000000000E+00
4.0000000000E+00 4.0000000000E+00 0.0000000000E+00
rprim19 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 1.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
rprim20 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 1.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
rprim21 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 1.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
rprim22 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 1.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
rprim23 0.0000000000E+00 4.0000000000E+00 4.0000000000E+00
4.0000000000E+00 0.0000000000E+00 4.0000000000E+00
4.0000000000E+00 4.0000000000E+00 0.0000000000E+00
rprim24 0.0000000000E+00 4.0000000000E+00 4.0000000000E+00
4.0000000000E+00 0.0000000000E+00 4.0000000000E+00
4.0000000000E+00 4.0000000000E+00 0.0000000000E+00
rprim25 0.0000000000E+00 4.0000000000E+00 4.0000000000E+00
4.0000000000E+00 0.0000000000E+00 4.0000000000E+00
4.0000000000E+00 4.0000000000E+00 0.0000000000E+00
rprim26 0.0000000000E+00 4.0000000000E+00 4.0000000000E+00
4.0000000000E+00 0.0000000000E+00 4.0000000000E+00
4.0000000000E+00 4.0000000000E+00 0.0000000000E+00
spgroup1 195
spgroup2 196
spgroup3 198
spgroup4 200
spgroup5 201
spgroup6 202
spgroup7 203
spgroup8 205
spgroup9 207
spgroup10 208
spgroup11 209
spgroup12 210
spgroup13 212
spgroup14 213
spgroup15 215
spgroup16 216
spgroup17 218
spgroup18 219
spgroup19 221
spgroup20 222
spgroup21 223
spgroup22 224
spgroup23 225
spgroup24 226
spgroup25 227
spgroup26 228
spinat1 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat2 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat3 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat4 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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tnons26 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
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toldfe 1.00000000E-06 Hartree
typat1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
typat5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
typat6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
typat7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
typat8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
typat9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
typat10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
typat11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
typat12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
typat13 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
typat14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
typat15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
typat16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
typat17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
typat18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
typat19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
typat20 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
typat21 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
typat22 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
typat23 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
typat24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
typat25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
typat26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
xangst1 7.1968100368E-01 6.3501265031E-01 4.6567594356E-01
4.6567594356E-01 7.1968100368E-01 6.3501265031E-01
3.5137366650E+00 3.5984050184E+00 4.6567594356E-01
3.5137366650E+00 6.3501265031E-01 3.7677417252E+00
7.1968100368E-01 3.5984050184E+00 3.7677417252E+00
6.3501265031E-01 4.6567594356E-01 7.1968100368E-01
4.6567594356E-01 3.5137366650E+00 3.5984050184E+00
3.7677417252E+00 3.5137366650E+00 6.3501265031E-01
3.7677417252E+00 7.1968100368E-01 3.5984050184E+00
3.5984050184E+00 4.6567594356E-01 3.5137366650E+00
6.3501265031E-01 3.7677417252E+00 3.5137366650E+00
3.5984050184E+00 3.7677417252E+00 7.1968100368E-01
2.8363898380E+00 2.7517214847E+00 2.5823847779E+00
2.5823847779E+00 2.8363898380E+00 2.7517214847E+00
1.3970278307E+00 1.4816961841E+00 2.5823847779E+00
1.3970278307E+00 2.7517214847E+00 1.6510328908E+00
2.8363898380E+00 1.4816961841E+00 1.6510328908E+00
2.7517214847E+00 2.5823847779E+00 2.8363898380E+00
2.5823847779E+00 1.3970278307E+00 1.4816961841E+00
1.6510328908E+00 1.3970278307E+00 2.7517214847E+00
1.6510328908E+00 2.8363898380E+00 1.4816961841E+00
1.4816961841E+00 2.5823847779E+00 1.3970278307E+00
2.7517214847E+00 1.6510328908E+00 1.3970278307E+00
1.4816961841E+00 1.6510328908E+00 2.8363898380E+00
xangst2 7.1968100368E-01 6.3501265031E-01 4.6567594356E-01
4.6567594356E-01 7.1968100368E-01 6.3501265031E-01
1.3970278307E+00 1.4816961841E+00 4.6567594356E-01
1.3970278307E+00 6.3501265031E-01 1.6510328908E+00
7.1968100368E-01 1.4816961841E+00 1.6510328908E+00
6.3501265031E-01 4.6567594356E-01 7.1968100368E-01
4.6567594356E-01 1.3970278307E+00 1.4816961841E+00
1.6510328908E+00 1.3970278307E+00 6.3501265031E-01
1.6510328908E+00 7.1968100368E-01 1.4816961841E+00
1.4816961841E+00 4.6567594356E-01 1.3970278307E+00
6.3501265031E-01 1.6510328908E+00 1.3970278307E+00
1.4816961841E+00 1.6510328908E+00 7.1968100368E-01
2.8363898380E+00 2.7517214847E+00 2.5823847779E+00
2.5823847779E+00 2.8363898380E+00 2.7517214847E+00
1.3970278307E+00 1.4816961841E+00 2.5823847779E+00
1.3970278307E+00 2.7517214847E+00 1.6510328908E+00
2.8363898380E+00 1.4816961841E+00 1.6510328908E+00
2.7517214847E+00 2.5823847779E+00 2.8363898380E+00
2.5823847779E+00 1.3970278307E+00 1.4816961841E+00
1.6510328908E+00 1.3970278307E+00 2.7517214847E+00
1.6510328908E+00 2.8363898380E+00 1.4816961841E+00
1.4816961841E+00 2.5823847779E+00 1.3970278307E+00
2.7517214847E+00 1.6510328908E+00 1.3970278307E+00
1.4816961841E+00 1.6510328908E+00 2.8363898380E+00
xangst3 7.1968100368E-01 6.3501265031E-01 4.6567594356E-01
4.6567594356E-01 7.1968100368E-01 6.3501265031E-01
1.3970278307E+00 3.5984050184E+00 2.5823847779E+00
3.5137366650E+00 2.7517214847E+00 1.6510328908E+00
2.8363898380E+00 1.4816961841E+00 3.7677417252E+00
2.5823847779E+00 1.3970278307E+00 3.5984050184E+00
1.6510328908E+00 3.5137366650E+00 2.7517214847E+00
3.7677417252E+00 2.8363898380E+00 1.4816961841E+00
6.3501265031E-01 4.6567594356E-01 7.1968100368E-01
3.5984050184E+00 2.5823847779E+00 1.3970278307E+00
2.7517214847E+00 1.6510328908E+00 3.5137366650E+00
1.4816961841E+00 3.7677417252E+00 2.8363898380E+00
2.8363898380E+00 2.7517214847E+00 2.5823847779E+00
2.5823847779E+00 2.8363898380E+00 2.7517214847E+00
3.5137366650E+00 1.4816961841E+00 4.6567594356E-01
1.3970278307E+00 6.3501265031E-01 3.7677417252E+00
7.1968100368E-01 3.5984050184E+00 1.6510328908E+00
4.6567594356E-01 3.5137366650E+00 1.4816961841E+00
3.7677417252E+00 1.3970278307E+00 6.3501265031E-01
1.6510328908E+00 7.1968100368E-01 3.5984050184E+00
2.7517214847E+00 2.5823847779E+00 2.8363898380E+00
1.4816961841E+00 4.6567594356E-01 3.5137366650E+00
6.3501265031E-01 3.7677417252E+00 1.3970278307E+00
3.5984050184E+00 1.6510328908E+00 7.1968100368E-01
xangst4 7.1968100368E-01 6.3501265031E-01 4.6567594356E-01
4.6567594356E-01 7.1968100368E-01 6.3501265031E-01
3.5137366650E+00 3.5984050184E+00 4.6567594356E-01
3.5137366650E+00 6.3501265031E-01 3.7677417252E+00
6.3501265031E-01 4.6567594356E-01 7.1968100368E-01
4.6567594356E-01 3.5137366650E+00 3.5984050184E+00
3.7677417252E+00 3.5137366650E+00 6.3501265031E-01
7.1968100368E-01 3.5984050184E+00 3.7677417252E+00
3.7677417252E+00 7.1968100368E-01 3.5984050184E+00
3.5984050184E+00 4.6567594356E-01 3.5137366650E+00
6.3501265031E-01 3.7677417252E+00 3.5137366650E+00
3.5984050184E+00 3.7677417252E+00 7.1968100368E-01
3.5137366650E+00 3.5984050184E+00 3.7677417252E+00
3.7677417252E+00 3.5137366650E+00 3.5984050184E+00
7.1968100368E-01 6.3501265031E-01 3.7677417252E+00
7.1968100368E-01 3.5984050184E+00 4.6567594356E-01
3.5984050184E+00 3.7677417252E+00 3.5137366650E+00
3.7677417252E+00 7.1968100368E-01 6.3501265031E-01
4.6567594356E-01 7.1968100368E-01 3.5984050184E+00
3.5137366650E+00 6.3501265031E-01 4.6567594356E-01
4.6567594356E-01 3.5137366650E+00 6.3501265031E-01
6.3501265031E-01 3.7677417252E+00 7.1968100368E-01
3.5984050184E+00 4.6567594356E-01 7.1968100368E-01
6.3501265031E-01 4.6567594356E-01 3.5137366650E+00
2.8363898380E+00 2.7517214847E+00 2.5823847779E+00
2.5823847779E+00 2.8363898380E+00 2.7517214847E+00
1.3970278307E+00 1.4816961841E+00 2.5823847779E+00
1.3970278307E+00 2.7517214847E+00 1.6510328908E+00
2.7517214847E+00 2.5823847779E+00 2.8363898380E+00
2.5823847779E+00 1.3970278307E+00 1.4816961841E+00
1.6510328908E+00 1.3970278307E+00 2.7517214847E+00
2.8363898380E+00 1.4816961841E+00 1.6510328908E+00
1.6510328908E+00 2.8363898380E+00 1.4816961841E+00
1.4816961841E+00 2.5823847779E+00 1.3970278307E+00
2.7517214847E+00 1.6510328908E+00 1.3970278307E+00
1.4816961841E+00 1.6510328908E+00 2.8363898380E+00
1.3970278307E+00 1.4816961841E+00 1.6510328908E+00
1.6510328908E+00 1.3970278307E+00 1.4816961841E+00
2.8363898380E+00 2.7517214847E+00 1.6510328908E+00
2.8363898380E+00 1.4816961841E+00 2.5823847779E+00
1.4816961841E+00 1.6510328908E+00 1.3970278307E+00
1.6510328908E+00 2.8363898380E+00 2.7517214847E+00
2.5823847779E+00 2.8363898380E+00 1.4816961841E+00
1.3970278307E+00 2.7517214847E+00 2.5823847779E+00
2.5823847779E+00 1.3970278307E+00 2.7517214847E+00
2.7517214847E+00 1.6510328908E+00 2.8363898380E+00
1.4816961841E+00 2.5823847779E+00 2.8363898380E+00
2.7517214847E+00 2.5823847779E+00 1.3970278307E+00
xangst5 7.1968100368E-01 6.3501265031E-01 4.6567594356E-01
4.6567594356E-01 7.1968100368E-01 6.3501265031E-01
3.5137366650E+00 3.5984050184E+00 4.6567594356E-01
3.5137366650E+00 6.3501265031E-01 3.7677417252E+00
1.3970278307E+00 1.4816961841E+00 1.6510328908E+00
6.3501265031E-01 4.6567594356E-01 7.1968100368E-01
4.6567594356E-01 3.5137366650E+00 3.5984050184E+00
3.7677417252E+00 3.5137366650E+00 6.3501265031E-01
1.6510328908E+00 1.3970278307E+00 1.4816961841E+00
7.1968100368E-01 3.5984050184E+00 3.7677417252E+00
2.8363898380E+00 2.7517214847E+00 1.6510328908E+00
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1.3000000000E-01 2.1000000000E-01 5.7000000000E-01
9.0000000000E-02 2.1000000000E-01 1.3000000000E-01
5.7000000000E-01 1.3000000000E-01 2.1000000000E-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.
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= 1.8 wall= 1.8
================================================================================
Calculation completed.
.Delivered 0 WARNINGs and 28 COMMENTs to log file.
+Overall time at end (sec) : cpu= 1.8 wall= 1.8