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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 20h16 )
- input file -> /home/buildbot/ABINIT3/eos_gnu_13.2_mpich/trunk_gonze-10.2/tests/Test_suite/v4_t25/t25.abi
- output file -> t25.abo
- root for input files -> t25i
- root for output files -> t25o
DATASET 1 : magnetic group, Shubnikov type III
Fedorov space group P4 m m (# 99); Bravais tP (primitive tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 2 : magnetic group, Shubnikov type III
Fedorov space group P4 m m (# 99); Bravais tP (primitive tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 3 : magnetic group, Shubnikov type III
Fedorov space group P4 m m (# 99); Bravais tP (primitive tetrag.)
Magnetic point group 4m'm' (# 20)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 4 : magnetic group, Shubnikov type III
Fedorov space group P4 b m (#100); Bravais tP (primitive tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
Values of the parameters that define the memory need for DATASET 4.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 5 : magnetic group, Shubnikov type III
Fedorov space group P4 b m (#100); Bravais tP (primitive tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 6 : magnetic group, Shubnikov type III
Fedorov space group P4 b m (#100); Bravais tP (primitive tetrag.)
Magnetic point group 4m'm' (# 20)
================================================================================
Values of the parameters that define the memory need for DATASET 6.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 7 : magnetic group, Shubnikov type III
Fedorov space group P4_2 c m (#101); Bravais tP (primitive tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 8 : magnetic group, Shubnikov type III
Fedorov space group P4_2 c m (#101); Bravais tP (primitive tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 9 : magnetic group, Shubnikov type III
Fedorov space group P4_2 c m (#101); Bravais tP (primitive tetrag.)
Magnetic point group 4m'm' (# 20)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 10 : magnetic group, Shubnikov type III
Fedorov space group P4_2 n m (#102); Bravais tP (primitive tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 11 : magnetic group, Shubnikov type III
Fedorov space group P4_2 n m (#102); Bravais tP (primitive tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 12 : magnetic group, Shubnikov type III
Fedorov space group P4_2 n m (#102); Bravais tP (primitive tetrag.)
Magnetic point group 4m'm' (# 20)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 13 : magnetic group, Shubnikov type III
Fedorov space group P4 c c (#103); Bravais tP (primitive tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
Values of the parameters that define the memory need for DATASET 13.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 14 : magnetic group, Shubnikov type III
Fedorov space group P4 c c (#103); Bravais tP (primitive tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 15 : magnetic group, Shubnikov type III
Fedorov space group P4 c c (#103); Bravais tP (primitive tetrag.)
Magnetic point group 4m'm' (# 20)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 16 : magnetic group, Shubnikov type III
Fedorov space group P4 n c (#104); Bravais tP (primitive tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 17 : magnetic group, Shubnikov type III
Fedorov space group P4 n c (#104); Bravais tP (primitive tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 18 : magnetic group, Shubnikov type III
Fedorov space group P4 n c (#104); Bravais tP (primitive tetrag.)
Magnetic point group 4m'm' (# 20)
================================================================================
Values of the parameters that define the memory need for DATASET 18.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 19 : magnetic group, Shubnikov type III
Fedorov space group P4_2 m c (#105); Bravais tP (primitive tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
Values of the parameters that define the memory need for DATASET 19.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 20 : magnetic group, Shubnikov type III
Fedorov space group P4_2 m c (#105); Bravais tP (primitive tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 21 : magnetic group, Shubnikov type III
Fedorov space group P4_2 m c (#105); Bravais tP (primitive tetrag.)
Magnetic point group 4m'm' (# 20)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 22 : magnetic group, Shubnikov type III
Fedorov space group P4_2 b c (#106); Bravais tP (primitive tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 23 : magnetic group, Shubnikov type III
Fedorov space group P4_2 b c (#106); Bravais tP (primitive tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
Values of the parameters that define the memory need for DATASET 23.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 24 : magnetic group, Shubnikov type III
Fedorov space group P4_2 b c (#106); Bravais tP (primitive tetrag.)
Magnetic point group 4m'm' (# 20)
================================================================================
Values of the parameters that define the memory need for DATASET 24.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 25 : magnetic group, Shubnikov type III
Fedorov space group I4 m m (#107); Bravais tI (body-center tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 26 : magnetic group, Shubnikov type III
Fedorov space group I4 m m (#107); Bravais tI (body-center tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 27 : magnetic group, Shubnikov type III
Fedorov space group I4 m m (#107); Bravais tI (body-center tetrag.)
Magnetic point group 4m'm' (# 20)
================================================================================
Values of the parameters that define the memory need for DATASET 27.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 28 : magnetic group, Shubnikov type III
Fedorov space group I4 c m (#108); Bravais tI (body-center tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
Values of the parameters that define the memory need for DATASET 28.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 29 : magnetic group, Shubnikov type III
Fedorov space group I4 c m (#108); Bravais tI (body-center tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
Values of the parameters that define the memory need for DATASET 29.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 30 : magnetic group, Shubnikov type III
Fedorov space group I4 c m (#108); Bravais tI (body-center tetrag.)
Magnetic point group 4m'm' (# 20)
================================================================================
Values of the parameters that define the memory need for DATASET 30.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 31 : magnetic group, Shubnikov type III
Fedorov space group I4_1 m d (#109); Bravais tI (body-center tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
Values of the parameters that define the memory need for DATASET 31.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 32 : magnetic group, Shubnikov type III
Fedorov space group I4_1 m d (#109); Bravais tI (body-center tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
Values of the parameters that define the memory need for DATASET 32.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 33 : magnetic group, Shubnikov type III
Fedorov space group I4_1 m d (#109); Bravais tI (body-center tetrag.)
Magnetic point group 4m'm' (# 20)
================================================================================
Values of the parameters that define the memory need for DATASET 33.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 34 : magnetic group, Shubnikov type III
Fedorov space group I4_1 c d (#110); Bravais tI (body-center tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
Values of the parameters that define the memory need for DATASET 34.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 35 : magnetic group, Shubnikov type III
Fedorov space group I4_1 c d (#110); Bravais tI (body-center tetrag.)
Magnetic point group 4'mm' (# 21)
================================================================================
Values of the parameters that define the memory need for DATASET 35.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 36 : magnetic group, Shubnikov type III
Fedorov space group I4_1 c d (#110); Bravais tI (body-center tetrag.)
Magnetic point group 4m'm' (# 20)
================================================================================
Values of the parameters that define the memory need for DATASET 36.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 37 : magnetic group, Shubnikov type III
Fedorov space group P-4 2 m (#111); Bravais tP (primitive tetrag.)
Magnetic point group -4'm2' (# 24)
================================================================================
Values of the parameters that define the memory need for DATASET 37.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 38 : magnetic group, Shubnikov type III
Fedorov space group P-4 2 m (#111); Bravais tP (primitive tetrag.)
Magnetic point group -4'2m' (# 23)
================================================================================
Values of the parameters that define the memory need for DATASET 38.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 39 : magnetic group, Shubnikov type III
Fedorov space group P-4 2 m (#111); Bravais tP (primitive tetrag.)
Magnetic point group -42'm' (# 22)
================================================================================
Values of the parameters that define the memory need for DATASET 39.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 40 : magnetic group, Shubnikov type III
Fedorov space group P-4 2 c (#112); Bravais tP (primitive tetrag.)
Magnetic point group -4'm2' (# 24)
================================================================================
Values of the parameters that define the memory need for DATASET 40.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 41 : magnetic group, Shubnikov type III
Fedorov space group P-4 2 c (#112); Bravais tP (primitive tetrag.)
Magnetic point group -4'2m' (# 23)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 42 : magnetic group, Shubnikov type III
Fedorov space group P-4 2 c (#112); Bravais tP (primitive tetrag.)
Magnetic point group -42'm' (# 22)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 43 : magnetic group, Shubnikov type III
Fedorov space group P-4 2_1 m (#113); Bravais tP (primitive tetrag.)
Magnetic point group -4'm2' (# 24)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 44 : magnetic group, Shubnikov type III
Fedorov space group P-4 2_1 m (#113); Bravais tP (primitive tetrag.)
Magnetic point group -4'2m' (# 23)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 45 : magnetic group, Shubnikov type III
Fedorov space group P-4 2_1 m (#113); Bravais tP (primitive tetrag.)
Magnetic point group -42'm' (# 22)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 46 : magnetic group, Shubnikov type III
Fedorov space group P-4 2_1 c (#114); Bravais tP (primitive tetrag.)
Magnetic point group -4'm2' (# 24)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 47 : magnetic group, Shubnikov type III
Fedorov space group P-4 2_1 c (#114); Bravais tP (primitive tetrag.)
Magnetic point group -4'2m' (# 23)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 48 : magnetic group, Shubnikov type III
Fedorov space group P-4 2_1 c (#114); Bravais tP (primitive tetrag.)
Magnetic point group -42'm' (# 22)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 49 : magnetic group, Shubnikov type III
Fedorov space group P-4 m 2 (#115); Bravais tP (primitive tetrag.)
Magnetic point group -4'm2' (# 24)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 50 : magnetic group, Shubnikov type III
Fedorov space group P-4 m 2 (#115); Bravais tP (primitive tetrag.)
Magnetic point group -4'2m' (# 23)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 51 : magnetic group, Shubnikov type III
Fedorov space group P-4 m 2 (#115); Bravais tP (primitive tetrag.)
Magnetic point group -42'm' (# 22)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 52 : magnetic group, Shubnikov type III
Fedorov space group P-4 c 2 (#116); Bravais tP (primitive tetrag.)
Magnetic point group -4'm2' (# 24)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 53 : magnetic group, Shubnikov type III
Fedorov space group P-4 c 2 (#116); Bravais tP (primitive tetrag.)
Magnetic point group -4'2m' (# 23)
================================================================================
Values of the parameters that define the memory need for DATASET 53.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 54 : magnetic group, Shubnikov type III
Fedorov space group P-4 c 2 (#116); Bravais tP (primitive tetrag.)
Magnetic point group -42'm' (# 22)
================================================================================
Values of the parameters that define the memory need for DATASET 54.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 55 : magnetic group, Shubnikov type III
Fedorov space group P-4 b 2 (#117); Bravais tP (primitive tetrag.)
Magnetic point group -4'm2' (# 24)
================================================================================
Values of the parameters that define the memory need for DATASET 55.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 56 : magnetic group, Shubnikov type III
Fedorov space group P-4 b 2 (#117); Bravais tP (primitive tetrag.)
Magnetic point group -4'2m' (# 23)
================================================================================
Values of the parameters that define the memory need for DATASET 56.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 57 : magnetic group, Shubnikov type III
Fedorov space group P-4 b 2 (#117); Bravais tP (primitive tetrag.)
Magnetic point group -42'm' (# 22)
================================================================================
Values of the parameters that define the memory need for DATASET 57.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 58 : magnetic group, Shubnikov type III
Fedorov space group P-4 n 2 (#118); Bravais tP (primitive tetrag.)
Magnetic point group -4'm2' (# 24)
================================================================================
Values of the parameters that define the memory need for DATASET 58.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 59 : magnetic group, Shubnikov type III
Fedorov space group P-4 n 2 (#118); Bravais tP (primitive tetrag.)
Magnetic point group -4'2m' (# 23)
================================================================================
Values of the parameters that define the memory need for DATASET 59.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 60 : magnetic group, Shubnikov type III
Fedorov space group P-4 n 2 (#118); Bravais tP (primitive tetrag.)
Magnetic point group -42'm' (# 22)
================================================================================
Values of the parameters that define the memory need for DATASET 60.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.472 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 61 : magnetic group, Shubnikov type III
Fedorov space group I-4 m 2 (#119); Bravais tI (body-center tetrag.)
Magnetic point group -4'm2' (# 24)
================================================================================
Values of the parameters that define the memory need for DATASET 61.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 62 : magnetic group, Shubnikov type III
Fedorov space group I-4 m 2 (#119); Bravais tI (body-center tetrag.)
Magnetic point group -4'2m' (# 23)
================================================================================
Values of the parameters that define the memory need for DATASET 62.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 63 : magnetic group, Shubnikov type III
Fedorov space group I-4 m 2 (#119); Bravais tI (body-center tetrag.)
Magnetic point group -42'm' (# 22)
================================================================================
Values of the parameters that define the memory need for DATASET 63.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 64 : magnetic group, Shubnikov type III
Fedorov space group I-4 c 2 (#120); Bravais tI (body-center tetrag.)
Magnetic point group -4'm2' (# 24)
================================================================================
Values of the parameters that define the memory need for DATASET 64.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 65 : magnetic group, Shubnikov type III
Fedorov space group I-4 c 2 (#120); Bravais tI (body-center tetrag.)
Magnetic point group -4'2m' (# 23)
================================================================================
Values of the parameters that define the memory need for DATASET 65.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 66 : magnetic group, Shubnikov type III
Fedorov space group I-4 c 2 (#120); Bravais tI (body-center tetrag.)
Magnetic point group -42'm' (# 22)
================================================================================
Values of the parameters that define the memory need for DATASET 66.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 67 : magnetic group, Shubnikov type III
Fedorov space group I-4 2 m (#121); Bravais tI (body-center tetrag.)
Magnetic point group -4'm2' (# 24)
================================================================================
Values of the parameters that define the memory need for DATASET 67.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 68 : magnetic group, Shubnikov type III
Fedorov space group I-4 2 m (#121); Bravais tI (body-center tetrag.)
Magnetic point group -4'2m' (# 23)
================================================================================
Values of the parameters that define the memory need for DATASET 68.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 69 : magnetic group, Shubnikov type III
Fedorov space group I-4 2 m (#121); Bravais tI (body-center tetrag.)
Magnetic point group -42'm' (# 22)
================================================================================
Values of the parameters that define the memory need for DATASET 69.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 70 : magnetic group, Shubnikov type III
Fedorov space group I-4 2 d (#122); Bravais tI (body-center tetrag.)
Magnetic point group -4'm2' (# 24)
================================================================================
Values of the parameters that define the memory need for DATASET 70.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 71 : magnetic group, Shubnikov type III
Fedorov space group I-4 2 d (#122); Bravais tI (body-center tetrag.)
Magnetic point group -4'2m' (# 23)
================================================================================
Values of the parameters that define the memory need for DATASET 71.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 72 : magnetic group, Shubnikov type III
Fedorov space group I-4 2 d (#122); Bravais tI (body-center tetrag.)
Magnetic point group -42'm' (# 22)
================================================================================
Values of the parameters that define the memory need for DATASET 72.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.288 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 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 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell2 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell3 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell4 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell5 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell6 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell7 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell8 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell9 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell10 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell11 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell12 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell13 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell14 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell15 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell16 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell17 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell18 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell19 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell20 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell21 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell22 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell23 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell24 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell25 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell26 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell27 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell28 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell29 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell30 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell31 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell32 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell33 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell34 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell35 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell36 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell37 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell38 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell39 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell40 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell41 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell42 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell43 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell44 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell45 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell46 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell47 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell48 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell49 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell50 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell51 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell52 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell53 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell54 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell55 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell56 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell57 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell58 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell59 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell60 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell61 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell62 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell63 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell64 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell65 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell66 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell67 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell68 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell69 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell70 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell71 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell72 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
amu 1.00794000E+00
ecut 1.00000000E+00 Hartree
- fftalg 512
istwfk 2
jdtset 1 2 3 4 5 6 7 8 9 10
11 12 13 14 15 16 17 18 19 20
21 22 23 24 25 26 27 28 29 30
31 32 33 34 35 36 37 38 39 40
41 42 43 44 45 46 47 48 49 50
51 52 53 54 55 56 57 58 59 60
61 62 63 64 65 66 67 68 69 70
71 72
kptopt 0
P mkmem 1
natom 8
nband 8
ndtset 72
ngfft1 8 8 10
ngfft2 8 8 10
ngfft3 8 8 10
ngfft4 8 8 10
ngfft5 8 8 10
ngfft6 8 8 10
ngfft7 8 8 10
ngfft8 8 8 10
ngfft9 8 8 10
ngfft10 8 8 10
ngfft11 8 8 10
ngfft12 8 8 10
ngfft13 8 8 10
ngfft14 8 8 10
ngfft15 8 8 10
ngfft16 8 8 10
ngfft17 8 8 10
ngfft18 8 8 10
ngfft19 8 8 10
ngfft20 8 8 10
ngfft21 8 8 10
ngfft22 8 8 10
ngfft23 8 8 10
ngfft24 8 8 10
ngfft25 6 6 6
ngfft26 6 6 6
ngfft27 6 6 6
ngfft28 6 6 6
ngfft29 6 6 6
ngfft30 6 6 6
ngfft31 6 6 6
ngfft32 6 6 6
ngfft33 6 6 6
ngfft34 6 6 6
ngfft35 6 6 6
ngfft36 6 6 6
ngfft37 8 8 10
ngfft38 8 8 10
ngfft39 8 8 10
ngfft40 8 8 10
ngfft41 8 8 10
ngfft42 8 8 10
ngfft43 8 8 10
ngfft44 8 8 10
ngfft45 8 8 10
ngfft46 8 8 10
ngfft47 8 8 10
ngfft48 8 8 10
ngfft49 8 8 10
ngfft50 8 8 10
ngfft51 8 8 10
ngfft52 8 8 10
ngfft53 8 8 10
ngfft54 8 8 10
ngfft55 8 8 10
ngfft56 8 8 10
ngfft57 8 8 10
ngfft58 8 8 10
ngfft59 8 8 10
ngfft60 8 8 10
ngfft61 6 6 6
ngfft62 6 6 6
ngfft63 6 6 6
ngfft64 6 6 6
ngfft65 6 6 6
ngfft66 6 6 6
ngfft67 6 6 6
ngfft68 6 6 6
ngfft69 6 6 6
ngfft70 6 6 6
ngfft71 6 6 6
ngfft72 6 6 6
nkpt 1
nline 1
nspden 2
nsppol 2
nstep 1
nsym 8
ntypat 1
occ 1.000000 1.000000 1.000000 1.000000 0.000000 0.000000
0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 0.000000 0.000000
0.000000 0.000000
occopt 7
prtvol -1
ptgroupma1 21
ptgroupma2 21
ptgroupma3 20
ptgroupma4 21
ptgroupma5 21
ptgroupma6 20
ptgroupma7 21
ptgroupma8 21
ptgroupma9 20
ptgroupma10 21
ptgroupma11 21
ptgroupma12 20
ptgroupma13 21
ptgroupma14 21
ptgroupma15 20
ptgroupma16 21
ptgroupma17 21
ptgroupma18 20
ptgroupma19 21
ptgroupma20 21
ptgroupma21 20
ptgroupma22 21
ptgroupma23 21
ptgroupma24 20
ptgroupma25 21
ptgroupma26 21
ptgroupma27 20
ptgroupma28 21
ptgroupma29 21
ptgroupma30 20
ptgroupma31 21
ptgroupma32 21
ptgroupma33 20
ptgroupma34 21
ptgroupma35 21
ptgroupma36 20
ptgroupma37 24
ptgroupma38 23
ptgroupma39 22
ptgroupma40 24
ptgroupma41 23
ptgroupma42 22
ptgroupma43 24
ptgroupma44 23
ptgroupma45 22
ptgroupma46 24
ptgroupma47 23
ptgroupma48 22
ptgroupma49 24
ptgroupma50 23
ptgroupma51 22
ptgroupma52 24
ptgroupma53 23
ptgroupma54 22
ptgroupma55 24
ptgroupma56 23
ptgroupma57 22
ptgroupma58 24
ptgroupma59 23
ptgroupma60 22
ptgroupma61 24
ptgroupma62 23
ptgroupma63 22
ptgroupma64 24
ptgroupma65 23
ptgroupma66 22
ptgroupma67 24
ptgroupma68 23
ptgroupma69 22
ptgroupma70 24
ptgroupma71 23
ptgroupma72 22
rprim1 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
rprim2 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
rprim3 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
rprim4 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
rprim5 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
rprim6 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
rprim7 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
rprim8 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
rprim9 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
rprim10 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
rprim11 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
rprim12 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
6.1232339957E-17 1.0000000000E+00 0.0000000000E+00
6.1232339957E-17 6.1232339957E-17 1.0000000000E+00
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toldfe 1.00000000E-06 Hartree
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7.9000000000E-01 9.7000000000E-01 4.8000000000E-01
9.6000000000E-01 9.4000000000E-01 6.8000000000E-01
6.9000000000E-01 2.1000000000E-01 1.8000000000E-01
3.0000000000E-02 5.1000000000E-01 8.2000000000E-01
7.2000000000E-01 4.0000000000E-02 9.8000000000E-01
4.9000000000E-01 3.1000000000E-01 5.2000000000E-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.
chkinp: Checking input parameters for consistency, jdtset= 53.
chkinp: Checking input parameters for consistency, jdtset= 54.
chkinp: Checking input parameters for consistency, jdtset= 55.
chkinp: Checking input parameters for consistency, jdtset= 56.
chkinp: Checking input parameters for consistency, jdtset= 57.
chkinp: Checking input parameters for consistency, jdtset= 58.
chkinp: Checking input parameters for consistency, jdtset= 59.
chkinp: Checking input parameters for consistency, jdtset= 60.
chkinp: Checking input parameters for consistency, jdtset= 61.
chkinp: Checking input parameters for consistency, jdtset= 62.
chkinp: Checking input parameters for consistency, jdtset= 63.
chkinp: Checking input parameters for consistency, jdtset= 64.
chkinp: Checking input parameters for consistency, jdtset= 65.
chkinp: Checking input parameters for consistency, jdtset= 66.
chkinp: Checking input parameters for consistency, jdtset= 67.
chkinp: Checking input parameters for consistency, jdtset= 68.
chkinp: Checking input parameters for consistency, jdtset= 69.
chkinp: Checking input parameters for consistency, jdtset= 70.
chkinp: Checking input parameters for consistency, jdtset= 71.
chkinp: Checking input parameters for consistency, jdtset= 72.
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= 7.7 wall= 7.7
================================================================================
Calculation completed.
.Delivered 0 WARNINGs and 74 COMMENTs to log file.
+Overall time at end (sec) : cpu= 7.7 wall= 7.7
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