abinit/tests/v4/Refs/t23.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 20h16 )
- input file -> /home/buildbot/ABINIT3/eos_gnu_13.2_mpich/trunk_gonze-10.2/tests/Test_suite/v4_t23/t23.abi
- output file -> t23.abo
- root for input files -> t23i
- root for output files -> t23o
DATASET 1 : magnetic group, Shubnikov type III
Fedorov space group Cm c m (# 63); Bravais oC (1-face-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 2 : magnetic group, Shubnikov type III
Fedorov space group Cm c m (# 63); Bravais oC (1-face-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 3 : magnetic group, Shubnikov type III
Fedorov space group Cm c m (# 63); Bravais oC (1-face-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 4 : magnetic group, Shubnikov type III
Fedorov space group Cm c m (# 63); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 5 : magnetic group, Shubnikov type III
Fedorov space group Cm c m (# 63); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 6 : magnetic group, Shubnikov type III
Fedorov space group Cm c m (# 63); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 7 : magnetic group, Shubnikov type III
Fedorov space group Cm c m (# 63); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm' (# 10)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 8 : magnetic group, Shubnikov type III
Fedorov space group Cm c a (# 64); Bravais oC (1-face-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 9 : magnetic group, Shubnikov type III
Fedorov space group Cm c a (# 64); Bravais oC (1-face-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 10 : magnetic group, Shubnikov type III
Fedorov space group Cm c a (# 64); Bravais oC (1-face-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 11 : magnetic group, Shubnikov type III
Fedorov space group Cm c a (# 64); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 12 : magnetic group, Shubnikov type III
Fedorov space group Cm c a (# 64); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 13 : magnetic group, Shubnikov type III
Fedorov space group Cm c a (# 64); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 14 : magnetic group, Shubnikov type III
Fedorov space group Cm c a (# 64); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm' (# 10)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 15 : magnetic group, Shubnikov type III
Fedorov space group Cm m m (# 65); Bravais oC (1-face-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 16 : magnetic group, Shubnikov type III
Fedorov space group Cm m m (# 65); Bravais oC (1-face-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 17 : magnetic group, Shubnikov type III
Fedorov space group Cm m m (# 65); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 18 : magnetic group, Shubnikov type III
Fedorov space group Cm m m (# 65); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 19 : magnetic group, Shubnikov type III
Fedorov space group Cm m m (# 65); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm' (# 10)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 20 : magnetic group, Shubnikov type III
Fedorov space group Cc c m (# 66); Bravais oC (1-face-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 21 : magnetic group, Shubnikov type III
Fedorov space group Cc c m (# 66); Bravais oC (1-face-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 22 : magnetic group, Shubnikov type III
Fedorov space group Cc c m (# 66); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 23 : magnetic group, Shubnikov type III
Fedorov space group Cc c m (# 66); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
Values of the parameters that define the memory need for DATASET 23.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 24 : magnetic group, Shubnikov type III
Fedorov space group Cc c m (# 66); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm' (# 10)
================================================================================
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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 25 : magnetic group, Shubnikov type III
Fedorov space group Cm m a (# 67); Bravais oC (1-face-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
Values of the parameters that define the memory need for DATASET 25.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 26 : magnetic group, Shubnikov type III
Fedorov space group Cm m a (# 67); Bravais oC (1-face-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
Values of the parameters that define the memory need for DATASET 26.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 27 : magnetic group, Shubnikov type III
Fedorov space group Cm m a (# 67); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
Values of the parameters that define the memory need for DATASET 27.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 28 : magnetic group, Shubnikov type III
Fedorov space group Cm m a (# 67); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
Values of the parameters that define the memory need for DATASET 28.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 29 : magnetic group, Shubnikov type III
Fedorov space group Cm m a (# 67); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm' (# 10)
================================================================================
Values of the parameters that define the memory need for DATASET 29.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 30 : magnetic group, Shubnikov type III
Fedorov space group Cc c a (# 68); Bravais oC (1-face-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
Values of the parameters that define the memory need for DATASET 30.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 31 : magnetic group, Shubnikov type III
Fedorov space group Cc c a (# 68); Bravais oC (1-face-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
Values of the parameters that define the memory need for DATASET 31.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 32 : magnetic group, Shubnikov type III
Fedorov space group Cc c a (# 68); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
Values of the parameters that define the memory need for DATASET 32.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 33 : magnetic group, Shubnikov type III
Fedorov space group Cc c a (# 68); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
Values of the parameters that define the memory need for DATASET 33.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 34 : magnetic group, Shubnikov type III
Fedorov space group Cc c a (# 68); Bravais oC (1-face-center ortho.)
Magnetic point group m'm'm' (# 10)
================================================================================
Values of the parameters that define the memory need for DATASET 34.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 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 = 9 nfft = 360 nkpt = 1
================================================================================
P This job should need less than 1.353 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 35 : magnetic group, Shubnikov type III
Fedorov space group Fm m m (# 69); Bravais oF (face-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
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 = 6 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.287 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 36 : magnetic group, Shubnikov type III
Fedorov space group Fm m m (# 69); Bravais oF (face-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
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 = 6 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.287 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 37 : magnetic group, Shubnikov type III
Fedorov space group Fm m m (# 69); Bravais oF (face-center ortho.)
Magnetic point group m'm'm' (# 10)
================================================================================
Values of the parameters that define the memory need for DATASET 37.
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 = 6 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.287 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 38 : magnetic group, Shubnikov type III
Fedorov space group Fd d d (# 70); Bravais oF (face-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
Values of the parameters that define the memory need for DATASET 38.
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 = 6 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.287 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 39 : magnetic group, Shubnikov type III
Fedorov space group Fd d d (# 70); Bravais oF (face-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
Values of the parameters that define the memory need for DATASET 39.
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 = 6 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.287 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 40 : magnetic group, Shubnikov type III
Fedorov space group Fd d d (# 70); Bravais oF (face-center ortho.)
Magnetic point group m'm'm' (# 10)
================================================================================
Values of the parameters that define the memory need for DATASET 40.
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 = 6 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.287 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 41 : magnetic group, Shubnikov type III
Fedorov space group Im m m (# 71); Bravais oI (body-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
Values of the parameters that define the memory need for DATASET 41.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 42 : magnetic group, Shubnikov type III
Fedorov space group Im m m (# 71); Bravais oI (body-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
Values of the parameters that define the memory need for DATASET 42.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 43 : magnetic group, Shubnikov type III
Fedorov space group Im m m (# 71); Bravais oI (body-center ortho.)
Magnetic point group m'm'm' (# 10)
================================================================================
Values of the parameters that define the memory need for DATASET 43.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 44 : magnetic group, Shubnikov type III
Fedorov space group Ib a m (# 72); Bravais oI (body-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
Values of the parameters that define the memory need for DATASET 44.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 45 : magnetic group, Shubnikov type III
Fedorov space group Ib a m (# 72); Bravais oI (body-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
Values of the parameters that define the memory need for DATASET 45.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 46 : magnetic group, Shubnikov type III
Fedorov space group Ib a m (# 72); Bravais oI (body-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
Values of the parameters that define the memory need for DATASET 46.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 47 : magnetic group, Shubnikov type III
Fedorov space group Ib a m (# 72); Bravais oI (body-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
Values of the parameters that define the memory need for DATASET 47.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 48 : magnetic group, Shubnikov type III
Fedorov space group Ib a m (# 72); Bravais oI (body-center ortho.)
Magnetic point group m'm'm' (# 10)
================================================================================
Values of the parameters that define the memory need for DATASET 48.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 49 : magnetic group, Shubnikov type III
Fedorov space group Ib c a (# 73); Bravais oI (body-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
Values of the parameters that define the memory need for DATASET 49.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 50 : magnetic group, Shubnikov type III
Fedorov space group Ib c a (# 73); Bravais oI (body-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
Values of the parameters that define the memory need for DATASET 50.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 51 : magnetic group, Shubnikov type III
Fedorov space group Ib c a (# 73); Bravais oI (body-center ortho.)
Magnetic point group m'm'm' (# 10)
================================================================================
Values of the parameters that define the memory need for DATASET 51.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 52 : magnetic group, Shubnikov type III
Fedorov space group Im m a (# 74); Bravais oI (body-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
Values of the parameters that define the memory need for DATASET 52.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 53 : magnetic group, Shubnikov type III
Fedorov space group Im m a (# 74); Bravais oI (body-center ortho.)
Magnetic point group mmm' (# 11)
================================================================================
Values of the parameters that define the memory need for DATASET 53.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 54 : magnetic group, Shubnikov type III
Fedorov space group Im m a (# 74); Bravais oI (body-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
Values of the parameters that define the memory need for DATASET 54.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 55 : magnetic group, Shubnikov type III
Fedorov space group Im m a (# 74); Bravais oI (body-center ortho.)
Magnetic point group m'm'm (# 12)
================================================================================
Values of the parameters that define the memory need for DATASET 55.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 56 : magnetic group, Shubnikov type III
Fedorov space group Im m a (# 74); Bravais oI (body-center ortho.)
Magnetic point group m'm'm' (# 10)
================================================================================
Values of the parameters that define the memory need for DATASET 56.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
--------------------------------------------------------------------------------
------------- 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 --------
acell 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
kptopt 0
P mkmem 1
natom 8
nband 8
ndtset 56
ngfft1 6 6 10
ngfft2 6 6 10
ngfft3 6 6 10
ngfft4 6 6 10
ngfft5 6 6 10
ngfft6 6 6 10
ngfft7 6 6 10
ngfft8 6 6 10
ngfft9 6 6 10
ngfft10 6 6 10
ngfft11 6 6 10
ngfft12 6 6 10
ngfft13 6 6 10
ngfft14 6 6 10
ngfft15 6 6 10
ngfft16 6 6 10
ngfft17 6 6 10
ngfft18 6 6 10
ngfft19 6 6 10
ngfft20 6 6 10
ngfft21 6 6 10
ngfft22 6 6 10
ngfft23 6 6 10
ngfft24 6 6 10
ngfft25 6 6 10
ngfft26 6 6 10
ngfft27 6 6 10
ngfft28 6 6 10
ngfft29 6 6 10
ngfft30 6 6 10
ngfft31 6 6 10
ngfft32 6 6 10
ngfft33 6 6 10
ngfft34 6 6 10
ngfft35 6 6 6
ngfft36 6 6 6
ngfft37 6 6 6
ngfft38 6 6 6
ngfft39 6 6 6
ngfft40 6 6 6
ngfft41 8 8 8
ngfft42 8 8 8
ngfft43 8 8 8
ngfft44 8 8 8
ngfft45 8 8 8
ngfft46 8 8 8
ngfft47 8 8 8
ngfft48 8 8 8
ngfft49 8 8 8
ngfft50 8 8 8
ngfft51 8 8 8
ngfft52 8 8 8
ngfft53 8 8 8
ngfft54 8 8 8
ngfft55 8 8 8
ngfft56 8 8 8
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 11
ptgroupma2 11
ptgroupma3 11
ptgroupma4 12
ptgroupma5 12
ptgroupma6 12
ptgroupma7 10
ptgroupma8 11
ptgroupma9 11
ptgroupma10 11
ptgroupma11 12
ptgroupma12 12
ptgroupma13 12
ptgroupma14 10
ptgroupma15 11
ptgroupma16 11
ptgroupma17 12
ptgroupma18 12
ptgroupma19 10
ptgroupma20 11
ptgroupma21 11
ptgroupma22 12
ptgroupma23 12
ptgroupma24 10
ptgroupma25 11
ptgroupma26 11
ptgroupma27 12
ptgroupma28 12
ptgroupma29 10
ptgroupma30 11
ptgroupma31 11
ptgroupma32 12
ptgroupma33 12
ptgroupma34 10
ptgroupma35 11
ptgroupma36 12
ptgroupma37 10
ptgroupma38 11
ptgroupma39 12
ptgroupma40 10
ptgroupma41 11
ptgroupma42 12
ptgroupma43 10
ptgroupma44 11
ptgroupma45 11
ptgroupma46 12
ptgroupma47 12
ptgroupma48 10
ptgroupma49 11
ptgroupma50 12
ptgroupma51 10
ptgroupma52 11
ptgroupma53 11
ptgroupma54 12
ptgroupma55 12
ptgroupma56 10
rprim1 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim2 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim3 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim4 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim5 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim6 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim7 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim8 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim9 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim10 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim11 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim12 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim13 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim14 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim15 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim16 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim17 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim18 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim19 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim20 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim21 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim22 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim23 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim24 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim25 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim26 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim27 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim28 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim29 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim30 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim31 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim32 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim33 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim34 3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
-3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
5.5109105962E-16 5.5109105962E-16 9.0000000000E+00
rprim35 5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 2.7554552981E-16 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
rprim36 5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 2.7554552981E-16 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
rprim37 5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 2.7554552981E-16 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
rprim38 5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 2.7554552981E-16 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
rprim39 5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 2.7554552981E-16 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
rprim40 5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 2.7554552981E-16 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 0.0000000000E+00
rprim41 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
rprim42 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
rprim43 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
rprim44 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
rprim45 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
rprim46 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
rprim47 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
rprim48 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
rprim49 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
rprim50 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
rprim51 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
rprim52 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
rprim53 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
rprim54 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
rprim55 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
rprim56 -3.5000000000E+00 4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 -4.0000000000E+00 4.5000000000E+00
3.5000000000E+00 4.0000000000E+00 -4.5000000000E+00
spgroup1 63
spgroup2 63
spgroup3 63
spgroup4 63
spgroup5 63
spgroup6 63
spgroup7 63
spgroup8 64
spgroup9 64
spgroup10 64
spgroup11 64
spgroup12 64
spgroup13 64
spgroup14 64
spgroup15 65
spgroup16 65
spgroup17 65
spgroup18 65
spgroup19 65
spgroup20 66
spgroup21 66
spgroup22 66
spgroup23 66
spgroup24 66
spgroup25 67
spgroup26 67
spgroup27 67
spgroup28 67
spgroup29 67
spgroup30 68
spgroup31 68
spgroup32 68
spgroup33 68
spgroup34 68
spgroup35 69
spgroup36 69
spgroup37 69
spgroup38 70
spgroup39 70
spgroup40 70
spgroup41 71
spgroup42 71
spgroup43 71
spgroup44 72
spgroup45 72
spgroup46 72
spgroup47 72
spgroup48 72
spgroup49 73
spgroup50 73
spgroup51 73
spgroup52 74
spgroup53 74
spgroup54 74
spgroup55 74
spgroup56 74
spinat1 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat2 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat3 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat4 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat5 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat6 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat7 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat8 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat9 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
spinat10 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat11 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat12 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat14 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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xred56 2.6000000000E-01 2.8000000000E-01 3.2000000000E-01
4.6000000000E-01 9.4000000000E-01 1.8000000000E-01
5.4000000000E-01 7.2000000000E-01 4.8000000000E-01
7.4000000000E-01 6.0000000000E-02 2.0000000000E-02
7.4000000000E-01 7.2000000000E-01 6.8000000000E-01
5.4000000000E-01 6.0000000000E-02 8.2000000000E-01
4.6000000000E-01 2.8000000000E-01 5.2000000000E-01
2.6000000000E-01 9.4000000000E-01 9.8000000000E-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.
abinit : before driver, prtvol=-1, debugging mode => will skip driver
== END DATASET(S) ==============================================================
================================================================================
abinit : before driver, prtvol=-1, debugging mode => will skip outvars
- Timing analysis has been suppressed with timopt=0
abinit : before driver, prtvol=-1, debugging mode => will skip acknowledgments
-
- Proc. 0 individual time (sec): cpu= 4.9 wall= 4.9
================================================================================
Calculation completed.
.Delivered 0 WARNINGs and 58 COMMENTs to log file.
+Overall time at end (sec) : cpu= 4.9 wall= 4.9