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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_t29/t29.abi
- output file -> t29.abo
- root for input files -> t29i
- root for output files -> t29o
DATASET 1 : magnetic group, Shubnikov type III
Fedorov space group P6 (#168); Bravais hP (primitive hexag.)
Magnetic point group 6' (# 36)
================================================================================
Values of the parameters that define the memory need for DATASET 1.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 6 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 6 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 6 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.463 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 2 : magnetic group, Shubnikov type III
Fedorov space group P6_1 (#169); Bravais hP (primitive hexag.)
Magnetic point group 6' (# 36)
================================================================================
Values of the parameters that define the memory need for DATASET 2.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 6 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 6 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 6 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.463 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 3 : magnetic group, Shubnikov type III
Fedorov space group P6_5 (#170); Bravais hP (primitive hexag.)
Magnetic point group 6' (# 36)
================================================================================
Values of the parameters that define the memory need for DATASET 3.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 6 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 6 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 6 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.463 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 4 : magnetic group, Shubnikov type III
Fedorov space group P6_2 (#171); Bravais hP (primitive hexag.)
Magnetic point group 6' (# 36)
================================================================================
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 = 6 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 6 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 6 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.463 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 5 : magnetic group, Shubnikov type III
Fedorov space group P6_4 (#172); Bravais hP (primitive hexag.)
Magnetic point group 6' (# 36)
================================================================================
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 = 6 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 6 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 6 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.463 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 6 : magnetic group, Shubnikov type III
Fedorov space group P6_3 (#173); Bravais hP (primitive hexag.)
Magnetic point group 6' (# 36)
================================================================================
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 = 6 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 6 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 6 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.463 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 7 : magnetic group, Shubnikov type III
Fedorov space group P-6 (#174); Bravais hP (primitive hexag.)
Magnetic point group -6' (# 32)
================================================================================
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 = 6 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 6 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 6 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.463 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 8 : magnetic group, Shubnikov type III
Fedorov space group P6/m (#175); Bravais hP (primitive hexag.)
Magnetic point group 6'/m (# 45)
================================================================================
Values of the parameters that define the memory need for DATASET 8.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 9 : magnetic group, Shubnikov type III
Fedorov space group P6/m (#175); Bravais hP (primitive hexag.)
Magnetic point group 6/m' (# 43)
================================================================================
Values of the parameters that define the memory need for DATASET 9.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 10 : magnetic group, Shubnikov type III
Fedorov space group P6/m (#175); Bravais hP (primitive hexag.)
Magnetic point group 6'/m' (# 44)
================================================================================
Values of the parameters that define the memory need for DATASET 10.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 11 : magnetic group, Shubnikov type III
Fedorov space group P6_3/m (#176); Bravais hP (primitive hexag.)
Magnetic point group 6'/m (# 45)
================================================================================
Values of the parameters that define the memory need for DATASET 11.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 12 : magnetic group, Shubnikov type III
Fedorov space group P6_3/m (#176); Bravais hP (primitive hexag.)
Magnetic point group 6/m' (# 43)
================================================================================
Values of the parameters that define the memory need for DATASET 12.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 13 : magnetic group, Shubnikov type III
Fedorov space group P6_3/m (#176); Bravais hP (primitive hexag.)
Magnetic point group 6'/m' (# 44)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 14 : magnetic group, Shubnikov type III
Fedorov space group P6 2 2 (#177); Bravais hP (primitive hexag.)
Magnetic point group 6'2'2 (# 42)
================================================================================
Values of the parameters that define the memory need for DATASET 14.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 15 : magnetic group, Shubnikov type III
Fedorov space group P6 2 2 (#177); Bravais hP (primitive hexag.)
Magnetic point group 6'2'2 (# 42)
================================================================================
Values of the parameters that define the memory need for DATASET 15.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 16 : magnetic group, Shubnikov type III
Fedorov space group P6 2 2 (#177); Bravais hP (primitive hexag.)
Magnetic point group 62'2' (# 41)
================================================================================
Values of the parameters that define the memory need for DATASET 16.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 17 : magnetic group, Shubnikov type III
Fedorov space group P6_1 2 2 (#178); Bravais hP (primitive hexag.)
Magnetic point group 6'2'2 (# 42)
================================================================================
Values of the parameters that define the memory need for DATASET 17.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 18 : magnetic group, Shubnikov type III
Fedorov space group P6_1 2 2 (#178); Bravais hP (primitive hexag.)
Magnetic point group 6'2'2 (# 42)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 19 : magnetic group, Shubnikov type III
Fedorov space group P6_1 2 2 (#178); Bravais hP (primitive hexag.)
Magnetic point group 62'2' (# 41)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 20 : magnetic group, Shubnikov type III
Fedorov space group P6_5 2 2 (#179); Bravais hP (primitive hexag.)
Magnetic point group 6'2'2 (# 42)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 21 : magnetic group, Shubnikov type III
Fedorov space group P6_5 2 2 (#179); Bravais hP (primitive hexag.)
Magnetic point group 6'2'2 (# 42)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 22 : magnetic group, Shubnikov type III
Fedorov space group P6_5 2 2 (#179); Bravais hP (primitive hexag.)
Magnetic point group 62'2' (# 41)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 23 : magnetic group, Shubnikov type III
Fedorov space group P6_2 2 2 (#180); Bravais hP (primitive hexag.)
Magnetic point group 6'2'2 (# 42)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 24 : magnetic group, Shubnikov type III
Fedorov space group P6_2 2 2 (#180); Bravais hP (primitive hexag.)
Magnetic point group 6'2'2 (# 42)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 25 : magnetic group, Shubnikov type III
Fedorov space group P6_2 2 2 (#180); Bravais hP (primitive hexag.)
Magnetic point group 62'2' (# 41)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 26 : magnetic group, Shubnikov type III
Fedorov space group P6_4 2 2 (#181); Bravais hP (primitive hexag.)
Magnetic point group 6'2'2 (# 42)
================================================================================
Values of the parameters that define the memory need for DATASET 26.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 27 : magnetic group, Shubnikov type III
Fedorov space group P6_4 2 2 (#181); Bravais hP (primitive hexag.)
Magnetic point group 6'2'2 (# 42)
================================================================================
Values of the parameters that define the memory need for DATASET 27.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 28 : magnetic group, Shubnikov type III
Fedorov space group P6_4 2 2 (#181); Bravais hP (primitive hexag.)
Magnetic point group 62'2' (# 41)
================================================================================
Values of the parameters that define the memory need for DATASET 28.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 29 : magnetic group, Shubnikov type III
Fedorov space group P6_3 2 2 (#182); Bravais hP (primitive hexag.)
Magnetic point group 6'2'2 (# 42)
================================================================================
Values of the parameters that define the memory need for DATASET 29.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 30 : magnetic group, Shubnikov type III
Fedorov space group P6_3 2 2 (#182); Bravais hP (primitive hexag.)
Magnetic point group 6'2'2 (# 42)
================================================================================
Values of the parameters that define the memory need for DATASET 30.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 31 : magnetic group, Shubnikov type III
Fedorov space group P6_3 2 2 (#182); Bravais hP (primitive hexag.)
Magnetic point group 62'2' (# 41)
================================================================================
Values of the parameters that define the memory need for DATASET 31.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 32 : magnetic group, Shubnikov type III
Fedorov space group P6 m m (#183); Bravais hP (primitive hexag.)
Magnetic point group 6'm'm (# 47)
================================================================================
Values of the parameters that define the memory need for DATASET 32.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 33 : magnetic group, Shubnikov type III
Fedorov space group P6 m m (#183); Bravais hP (primitive hexag.)
Magnetic point group 6'm'm (# 47)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 34 : magnetic group, Shubnikov type III
Fedorov space group P6 m m (#183); Bravais hP (primitive hexag.)
Magnetic point group 6m'm' (# 46)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 35 : magnetic group, Shubnikov type III
Fedorov space group P6 c c (#184); Bravais hP (primitive hexag.)
Magnetic point group 6'm'm (# 47)
================================================================================
Values of the parameters that define the memory need for DATASET 35.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 36 : magnetic group, Shubnikov type III
Fedorov space group P6 c c (#184); Bravais hP (primitive hexag.)
Magnetic point group 6'm'm (# 47)
================================================================================
Values of the parameters that define the memory need for DATASET 36.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 37 : magnetic group, Shubnikov type III
Fedorov space group P6 c c (#184); Bravais hP (primitive hexag.)
Magnetic point group 6m'm' (# 46)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 38 : magnetic group, Shubnikov type III
Fedorov space group P6_3 c m (#185); Bravais hP (primitive hexag.)
Magnetic point group 6'm'm (# 47)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 39 : magnetic group, Shubnikov type III
Fedorov space group P6_3 c m (#185); Bravais hP (primitive hexag.)
Magnetic point group 6'm'm (# 47)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 40 : magnetic group, Shubnikov type III
Fedorov space group P6_3 c m (#185); Bravais hP (primitive hexag.)
Magnetic point group 6m'm' (# 46)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 41 : magnetic group, Shubnikov type III
Fedorov space group P6_3 m c (#186); Bravais hP (primitive hexag.)
Magnetic point group 6'm'm (# 47)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 42 : magnetic group, Shubnikov type III
Fedorov space group P6_3 m c (#186); Bravais hP (primitive hexag.)
Magnetic point group 6'm'm (# 47)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 43 : magnetic group, Shubnikov type III
Fedorov space group P6_3 m c (#186); Bravais hP (primitive hexag.)
Magnetic point group 6m'm' (# 46)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 44 : magnetic group, Shubnikov type III
Fedorov space group P-6 m 2 (#187); Bravais hP (primitive hexag.)
Magnetic point group -6'm'2 (# 35)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 45 : magnetic group, Shubnikov type III
Fedorov space group P-6 m 2 (#187); Bravais hP (primitive hexag.)
Magnetic point group -6'm2' (# 34)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 46 : magnetic group, Shubnikov type III
Fedorov space group P-6 m 2 (#187); Bravais hP (primitive hexag.)
Magnetic point group -6m'2' (# 33)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 47 : magnetic group, Shubnikov type III
Fedorov space group P-6 c 2 (#188); Bravais hP (primitive hexag.)
Magnetic point group -6'm'2 (# 35)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 48 : magnetic group, Shubnikov type III
Fedorov space group P-6 c 2 (#188); Bravais hP (primitive hexag.)
Magnetic point group -6'm2' (# 34)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 49 : magnetic group, Shubnikov type III
Fedorov space group P-6 c 2 (#188); Bravais hP (primitive hexag.)
Magnetic point group -6m'2' (# 33)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 50 : magnetic group, Shubnikov type III
Fedorov space group P-6 2 m (#189); Bravais hP (primitive hexag.)
Magnetic point group -6'm'2 (# 35)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 51 : magnetic group, Shubnikov type III
Fedorov space group P-6 2 m (#189); Bravais hP (primitive hexag.)
Magnetic point group -6'm2' (# 34)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 52 : magnetic group, Shubnikov type III
Fedorov space group P-6 2 m (#189); Bravais hP (primitive hexag.)
Magnetic point group -6m'2' (# 33)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 53 : magnetic group, Shubnikov type III
Fedorov space group P-6 2 c (#190); Bravais hP (primitive hexag.)
Magnetic point group -6'm'2 (# 35)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 54 : magnetic group, Shubnikov type III
Fedorov space group P-6 2 c (#190); Bravais hP (primitive hexag.)
Magnetic point group -6'm2' (# 34)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 55 : magnetic group, Shubnikov type III
Fedorov space group P-6 2 c (#190); Bravais hP (primitive hexag.)
Magnetic point group -6m'2' (# 33)
================================================================================
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 = 12 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 12 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 12 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.493 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 56 : magnetic group, Shubnikov type III
Fedorov space group P6/m m m (#191); Bravais hP (primitive hexag.)
Magnetic point group 6/m'mm (# 51)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 57 : magnetic group, Shubnikov type III
Fedorov space group P6/m m m (#191); Bravais hP (primitive hexag.)
Magnetic point group 6'/mmm' (# 48)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 58 : magnetic group, Shubnikov type III
Fedorov space group P6/m m m (#191); Bravais hP (primitive hexag.)
Magnetic point group 6'/mmm' (# 48)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 59 : magnetic group, Shubnikov type III
Fedorov space group P6/m m m (#191); Bravais hP (primitive hexag.)
Magnetic point group 6'/m'm'm (# 49)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 60 : magnetic group, Shubnikov type III
Fedorov space group P6/m m m (#191); Bravais hP (primitive hexag.)
Magnetic point group 6'/m'm'm (# 49)
================================================================================
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 = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 61 : magnetic group, Shubnikov type III
Fedorov space group P6/m m m (#191); Bravais hP (primitive hexag.)
Magnetic point group 6/mm'm' (# 52)
================================================================================
Values of the parameters that define the memory need for DATASET 61.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 62 : magnetic group, Shubnikov type III
Fedorov space group P6/m m m (#191); Bravais hP (primitive hexag.)
Magnetic point group 6/m'm'm' (# 50)
================================================================================
Values of the parameters that define the memory need for DATASET 62.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 63 : magnetic group, Shubnikov type III
Fedorov space group P6/m c c (#192); Bravais hP (primitive hexag.)
Magnetic point group 6/m'mm (# 51)
================================================================================
Values of the parameters that define the memory need for DATASET 63.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 64 : magnetic group, Shubnikov type III
Fedorov space group P6/m c c (#192); Bravais hP (primitive hexag.)
Magnetic point group 6'/mmm' (# 48)
================================================================================
Values of the parameters that define the memory need for DATASET 64.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 65 : magnetic group, Shubnikov type III
Fedorov space group P6/m c c (#192); Bravais hP (primitive hexag.)
Magnetic point group 6'/mmm' (# 48)
================================================================================
Values of the parameters that define the memory need for DATASET 65.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 66 : magnetic group, Shubnikov type III
Fedorov space group P6/m c c (#192); Bravais hP (primitive hexag.)
Magnetic point group 6'/m'm'm (# 49)
================================================================================
Values of the parameters that define the memory need for DATASET 66.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 67 : magnetic group, Shubnikov type III
Fedorov space group P6/m c c (#192); Bravais hP (primitive hexag.)
Magnetic point group 6'/m'm'm (# 49)
================================================================================
Values of the parameters that define the memory need for DATASET 67.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 68 : magnetic group, Shubnikov type III
Fedorov space group P6/m c c (#192); Bravais hP (primitive hexag.)
Magnetic point group 6/mm'm' (# 52)
================================================================================
Values of the parameters that define the memory need for DATASET 68.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 69 : magnetic group, Shubnikov type III
Fedorov space group P6/m c c (#192); Bravais hP (primitive hexag.)
Magnetic point group 6/m'm'm' (# 50)
================================================================================
Values of the parameters that define the memory need for DATASET 69.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 70 : magnetic group, Shubnikov type III
Fedorov space group P6_3/m c m (#193); Bravais hP (primitive hexag.)
Magnetic point group 6/m'mm (# 51)
================================================================================
Values of the parameters that define the memory need for DATASET 70.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 71 : magnetic group, Shubnikov type III
Fedorov space group P6_3/m c m (#193); Bravais hP (primitive hexag.)
Magnetic point group 6'/mmm' (# 48)
================================================================================
Values of the parameters that define the memory need for DATASET 71.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 72 : magnetic group, Shubnikov type III
Fedorov space group P6_3/m c m (#193); Bravais hP (primitive hexag.)
Magnetic point group 6'/mmm' (# 48)
================================================================================
Values of the parameters that define the memory need for DATASET 72.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 73 : magnetic group, Shubnikov type III
Fedorov space group P6_3/m c m (#193); Bravais hP (primitive hexag.)
Magnetic point group 6'/m'm'm (# 49)
================================================================================
Values of the parameters that define the memory need for DATASET 73.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 74 : magnetic group, Shubnikov type III
Fedorov space group P6_3/m c m (#193); Bravais hP (primitive hexag.)
Magnetic point group 6'/m'm'm (# 49)
================================================================================
Values of the parameters that define the memory need for DATASET 74.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 75 : magnetic group, Shubnikov type III
Fedorov space group P6_3/m c m (#193); Bravais hP (primitive hexag.)
Magnetic point group 6/mm'm' (# 52)
================================================================================
Values of the parameters that define the memory need for DATASET 75.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 76 : magnetic group, Shubnikov type III
Fedorov space group P6_3/m c m (#193); Bravais hP (primitive hexag.)
Magnetic point group 6/m'm'm' (# 50)
================================================================================
Values of the parameters that define the memory need for DATASET 76.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 77 : magnetic group, Shubnikov type III
Fedorov space group P6_3/m m c (#194); Bravais hP (primitive hexag.)
Magnetic point group 6/m'mm (# 51)
================================================================================
Values of the parameters that define the memory need for DATASET 77.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 78 : magnetic group, Shubnikov type III
Fedorov space group P6_3/m m c (#194); Bravais hP (primitive hexag.)
Magnetic point group 6'/mmm' (# 48)
================================================================================
Values of the parameters that define the memory need for DATASET 78.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 79 : magnetic group, Shubnikov type III
Fedorov space group P6_3/m m c (#194); Bravais hP (primitive hexag.)
Magnetic point group 6'/mmm' (# 48)
================================================================================
Values of the parameters that define the memory need for DATASET 79.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 80 : magnetic group, Shubnikov type III
Fedorov space group P6_3/m m c (#194); Bravais hP (primitive hexag.)
Magnetic point group 6'/m'm'm (# 49)
================================================================================
Values of the parameters that define the memory need for DATASET 80.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 81 : magnetic group, Shubnikov type III
Fedorov space group P6_3/m m c (#194); Bravais hP (primitive hexag.)
Magnetic point group 6'/m'm'm (# 49)
================================================================================
Values of the parameters that define the memory need for DATASET 81.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 82 : magnetic group, Shubnikov type III
Fedorov space group P6_3/m m c (#194); Bravais hP (primitive hexag.)
Magnetic point group 6/mm'm' (# 52)
================================================================================
Values of the parameters that define the memory need for DATASET 82.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 83 : magnetic group, Shubnikov type III
Fedorov space group P6_3/m m c (#194); Bravais hP (primitive hexag.)
Magnetic point group 6/m'm'm' (# 50)
================================================================================
Values of the parameters that define the memory need for DATASET 83.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 24 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 24 mffmem = 1 mkmem = 1
mpw = 12 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.571 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.011 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
--------------------------------------------------------------------------------
------------- 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 8.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
amu 1.00794000E+00
ecut 1.00000000E+00 Hartree
- fftalg 512
istwfk 2
jdtset 1 2 3 4 5 6 7 8 9 10
11 12 13 14 15 16 17 18 19 20
21 22 23 24 25 26 27 28 29 30
31 32 33 34 35 36 37 38 39 40
41 42 43 44 45 46 47 48 49 50
51 52 53 54 55 56 57 58 59 60
61 62 63 64 65 66 67 68 69 70
71 72 73 74 75 76 77 78 79 80
81 82 83
kptopt 0
P mkmem 1
natom1 6
natom2 6
natom3 6
natom4 6
natom5 6
natom6 6
natom7 6
natom8 12
natom9 12
natom10 12
natom11 12
natom12 12
natom13 12
natom14 12
natom15 12
natom16 12
natom17 12
natom18 12
natom19 12
natom20 12
natom21 12
natom22 12
natom23 12
natom24 12
natom25 12
natom26 12
natom27 12
natom28 12
natom29 12
natom30 12
natom31 12
natom32 12
natom33 12
natom34 12
natom35 12
natom36 12
natom37 12
natom38 12
natom39 12
natom40 12
natom41 12
natom42 12
natom43 12
natom44 12
natom45 12
natom46 12
natom47 12
natom48 12
natom49 12
natom50 12
natom51 12
natom52 12
natom53 12
natom54 12
natom55 12
natom56 24
natom57 24
natom58 24
natom59 24
natom60 24
natom61 24
natom62 24
natom63 24
natom64 24
natom65 24
natom66 24
natom67 24
natom68 24
natom69 24
natom70 24
natom71 24
natom72 24
natom73 24
natom74 24
natom75 24
natom76 24
natom77 24
natom78 24
natom79 24
natom80 24
natom81 24
natom82 24
natom83 24
nband1 6
nband2 6
nband3 6
nband4 6
nband5 6
nband6 6
nband7 6
nband8 12
nband9 12
nband10 12
nband11 12
nband12 12
nband13 12
nband14 12
nband15 12
nband16 12
nband17 12
nband18 12
nband19 12
nband20 12
nband21 12
nband22 12
nband23 12
nband24 12
nband25 12
nband26 12
nband27 12
nband28 12
nband29 12
nband30 12
nband31 12
nband32 12
nband33 12
nband34 12
nband35 12
nband36 12
nband37 12
nband38 12
nband39 12
nband40 12
nband41 12
nband42 12
nband43 12
nband44 12
nband45 12
nband46 12
nband47 12
nband48 12
nband49 12
nband50 12
nband51 12
nband52 12
nband53 12
nband54 12
nband55 12
nband56 24
nband57 24
nband58 24
nband59 24
nband60 24
nband61 24
nband62 24
nband63 24
nband64 24
nband65 24
nband66 24
nband67 24
nband68 24
nband69 24
nband70 24
nband71 24
nband72 24
nband73 24
nband74 24
nband75 24
nband76 24
nband77 24
nband78 24
nband79 24
nband80 24
nband81 24
nband82 24
nband83 24
ndtset 83
ngfft 8 8 10
nkpt 1
nline 1
nspden 2
nsppol 2
nstep 1
nsym1 6
nsym2 6
nsym3 6
nsym4 6
nsym5 6
nsym6 6
nsym7 6
nsym8 12
nsym9 12
nsym10 12
nsym11 12
nsym12 12
nsym13 12
nsym14 12
nsym15 12
nsym16 12
nsym17 12
nsym18 12
nsym19 12
nsym20 12
nsym21 12
nsym22 12
nsym23 12
nsym24 12
nsym25 12
nsym26 12
nsym27 12
nsym28 12
nsym29 12
nsym30 12
nsym31 12
nsym32 12
nsym33 12
nsym34 12
nsym35 12
nsym36 12
nsym37 12
nsym38 12
nsym39 12
nsym40 12
nsym41 12
nsym42 12
nsym43 12
nsym44 12
nsym45 12
nsym46 12
nsym47 12
nsym48 12
nsym49 12
nsym50 12
nsym51 12
nsym52 12
nsym53 12
nsym54 12
nsym55 12
nsym56 24
nsym57 24
nsym58 24
nsym59 24
nsym60 24
nsym61 24
nsym62 24
nsym63 24
nsym64 24
nsym65 24
nsym66 24
nsym67 24
nsym68 24
nsym69 24
nsym70 24
nsym71 24
nsym72 24
nsym73 24
nsym74 24
nsym75 24
nsym76 24
nsym77 24
nsym78 24
nsym79 24
nsym80 24
nsym81 24
nsym82 24
nsym83 24
ntypat 1
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occ78 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ79 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ80 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ81 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ82 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ83 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occopt 7
prtvol -1
ptgroupma1 36
ptgroupma2 36
ptgroupma3 36
ptgroupma4 36
ptgroupma5 36
ptgroupma6 36
ptgroupma7 32
ptgroupma8 45
ptgroupma9 43
ptgroupma10 44
ptgroupma11 45
ptgroupma12 43
ptgroupma13 44
ptgroupma14 42
ptgroupma15 42
ptgroupma16 41
ptgroupma17 42
ptgroupma18 42
ptgroupma19 41
ptgroupma20 42
ptgroupma21 42
ptgroupma22 41
ptgroupma23 42
ptgroupma24 42
ptgroupma25 41
ptgroupma26 42
ptgroupma27 42
ptgroupma28 41
ptgroupma29 42
ptgroupma30 42
ptgroupma31 41
ptgroupma32 47
ptgroupma33 47
ptgroupma34 46
ptgroupma35 47
ptgroupma36 47
ptgroupma37 46
ptgroupma38 47
ptgroupma39 47
ptgroupma40 46
ptgroupma41 47
ptgroupma42 47
ptgroupma43 46
ptgroupma44 35
ptgroupma45 34
ptgroupma46 33
ptgroupma47 35
ptgroupma48 34
ptgroupma49 33
ptgroupma50 35
ptgroupma51 34
ptgroupma52 33
ptgroupma53 35
ptgroupma54 34
ptgroupma55 33
ptgroupma56 51
ptgroupma57 48
ptgroupma58 48
ptgroupma59 49
ptgroupma60 49
ptgroupma61 52
ptgroupma62 50
ptgroupma63 51
ptgroupma64 48
ptgroupma65 48
ptgroupma66 49
ptgroupma67 49
ptgroupma68 52
ptgroupma69 50
ptgroupma70 51
ptgroupma71 48
ptgroupma72 48
ptgroupma73 49
ptgroupma74 49
ptgroupma75 52
ptgroupma76 50
ptgroupma77 51
ptgroupma78 48
ptgroupma79 48
ptgroupma80 49
ptgroupma81 49
ptgroupma82 52
ptgroupma83 50
rprim 1.0000000000E+00 0.0000000000E+00 0.0000000000E+00
-5.0000000000E-01 8.6602540378E-01 0.0000000000E+00
6.1232339957E-17 1.0605752387E-16 1.0000000000E+00
spgroup1 168
spgroup2 169
spgroup3 170
spgroup4 171
spgroup5 172
spgroup6 173
spgroup7 174
spgroup8 175
spgroup9 175
spgroup10 175
spgroup11 176
spgroup12 176
spgroup13 176
spgroup14 177
spgroup15 177
spgroup16 177
spgroup17 178
spgroup18 178
spgroup19 178
spgroup20 179
spgroup21 179
spgroup22 179
spgroup23 180
spgroup24 180
spgroup25 180
spgroup26 181
spgroup27 181
spgroup28 181
spgroup29 182
spgroup30 182
spgroup31 182
spgroup32 183
spgroup33 183
spgroup34 183
spgroup35 184
spgroup36 184
spgroup37 184
spgroup38 185
spgroup39 185
spgroup40 185
spgroup41 186
spgroup42 186
spgroup43 186
spgroup44 187
spgroup45 187
spgroup46 187
spgroup47 188
spgroup48 188
spgroup49 188
spgroup50 189
spgroup51 189
spgroup52 189
spgroup53 190
spgroup54 190
spgroup55 190
spgroup56 191
spgroup57 191
spgroup58 191
spgroup59 191
spgroup60 191
spgroup61 191
spgroup62 191
spgroup63 192
spgroup64 192
spgroup65 192
spgroup66 192
spgroup67 192
spgroup68 192
spgroup69 192
spgroup70 193
spgroup71 193
spgroup72 193
spgroup73 193
spgroup74 193
spgroup75 193
spgroup76 193
spgroup77 194
spgroup78 194
spgroup79 194
spgroup80 194
spgroup81 194
spgroup82 194
spgroup83 194
spinat1 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat2 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat3 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat4 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat5 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat6 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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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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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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spinat13 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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spinat15 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat16 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat17 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat18 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat19 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat20 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat21 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat22 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat23 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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spinat24 0.0000000000E+00 0.0000000000E+00 1.0000000000E+00
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0.0000000 0.0000000 0.5000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
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tnons81 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.5000000
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toldfe 1.00000000E-06 Hartree
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typat2 1 1 1 1 1 1
typat3 1 1 1 1 1 1
typat4 1 1 1 1 1 1
typat5 1 1 1 1 1 1
typat6 1 1 1 1 1 1
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typat42 1 1 1 1 1 1 1 1 1 1 1 1
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typat49 1 1 1 1 1 1 1 1 1 1 1 1
typat50 1 1 1 1 1 1 1 1 1 1 1 1
typat51 1 1 1 1 1 1 1 1 1 1 1 1
typat52 1 1 1 1 1 1 1 1 1 1 1 1
typat53 1 1 1 1 1 1 1 1 1 1 1 1
typat54 1 1 1 1 1 1 1 1 1 1 1 1
typat55 1 1 1 1 1 1 1 1 1 1 1 1
typat56 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat57 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat58 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat59 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat60 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat61 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat62 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat63 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat64 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat65 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat66 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat67 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat68 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat69 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat70 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat71 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat72 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat73 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat74 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat75 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
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1 1 1 1
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1 1 1 1
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1 1 1 1
typat79 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat80 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat81 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat82 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
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1 1 1 1
xangst1 4.0217467853E-01 5.4993708689E-01 5.2388543650E-01
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3.5560708417E+00 7.3324944919E-02 5.2388543650E-01
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2.3918809828E+00 3.0429852141E+00 5.2388543650E-01
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xangst2 4.0217467853E-01 5.4993708689E-01 5.2388543650E-01
-2.7517214847E-01 6.2326203181E-01 1.3176512494E+00
3.5560708417E+00 7.3324944919E-02 2.1114170623E+00
1.7145341558E+00 3.1163101591E+00 2.9051828752E+00
2.3918809828E+00 3.0429852141E+00 3.6989486880E+00
-1.4393620074E+00 3.5929223010E+00 4.4927145009E+00
xangst3 4.0217467853E-01 5.4993708689E-01 5.2388543650E-01
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3.5560708417E+00 7.3324944919E-02 3.6989486880E+00
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2.3918809828E+00 3.0429852141E+00 2.1114170623E+00
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xangst4 4.0217467853E-01 5.4993708689E-01 5.2388543650E-01
-2.7517214847E-01 6.2326203181E-01 2.1114170623E+00
3.5560708417E+00 7.3324944919E-02 3.6989486880E+00
1.7145341558E+00 3.1163101591E+00 5.2388543650E-01
2.3918809828E+00 3.0429852141E+00 2.1114170623E+00
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xangst5 4.0217467853E-01 5.4993708689E-01 5.2388543650E-01
-2.7517214847E-01 6.2326203181E-01 3.6989486880E+00
3.5560708417E+00 7.3324944919E-02 2.1114170623E+00
1.7145341558E+00 3.1163101591E+00 5.2388543650E-01
2.3918809828E+00 3.0429852141E+00 3.6989486880E+00
-1.4393620074E+00 3.5929223010E+00 2.1114170623E+00
xangst6 4.0217467853E-01 5.4993708689E-01 5.2388543650E-01
-2.7517214847E-01 6.2326203181E-01 2.9051828752E+00
3.5560708417E+00 7.3324944919E-02 5.2388543650E-01
1.7145341558E+00 3.1163101591E+00 2.9051828752E+00
2.3918809828E+00 3.0429852141E+00 5.2388543650E-01
-1.4393620074E+00 3.5929223010E+00 2.9051828752E+00
xangst7 4.0217467853E-01 5.4993708689E-01 5.2388543650E-01
3.5560708417E+00 7.3324944919E-02 4.2387094408E+00
2.3918809828E+00 3.0429852141E+00 5.2388543650E-01
4.0217467853E-01 5.4993708689E-01 4.2387094408E+00
3.5560708417E+00 7.3324944919E-02 5.2388543650E-01
2.3918809828E+00 3.0429852141E+00 4.2387094408E+00
xangst8 4.0217467853E-01 5.4993708689E-01 5.2388543650E-01
-2.7517214847E-01 6.2326203181E-01 5.2388543650E-01
3.5560708417E+00 7.3324944919E-02 5.2388543650E-01
1.7145341558E+00 3.1163101591E+00 5.2388543650E-01
2.3918809828E+00 3.0429852141E+00 5.2388543650E-01
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1.7145341558E+00 3.1163101591E+00 4.2387094408E+00
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4.0217467853E-01 5.4993708689E-01 4.2387094408E+00
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3.5560708417E+00 7.3324944919E-02 4.2387094408E+00
xangst9 4.0217467853E-01 5.4993708689E-01 5.2388543650E-01
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4.0217467853E-01 5.4993708689E-01 4.2387094408E+00
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xangst10 4.0217467853E-01 5.4993708689E-01 5.2388543650E-01
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xangst11 4.0217467853E-01 5.4993708689E-01 5.2388543650E-01
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xangst12 4.0217467853E-01 5.4993708689E-01 5.2388543650E-01
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3.5560708417E+00 7.3324944919E-02 1.8574120022E+00
xangst13 4.0217467853E-01 5.4993708689E-01 5.2388543650E-01
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xangst14 4.0217467853E-01 5.4993708689E-01 5.2388543650E-01
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3.8312429902E+00 5.4993708689E-01 4.2387094408E+00
6.7734682700E-01 7.3324944919E-02 4.2387094408E+00
1.7145341558E+00 3.1163101591E+00 5.2388543650E-01
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xangst15 4.0217467853E-01 5.4993708689E-01 5.2388543650E-01
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2.7517214847E-01 6.2326203181E-01 4.2387094408E+00
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3.8312429902E+00 5.4993708689E-01 4.2387094408E+00
6.7734682700E-01 7.3324944919E-02 4.2387094408E+00
1.7145341558E+00 3.1163101591E+00 5.2388543650E-01
1.4393620074E+00 3.5929223010E+00 4.2387094408E+00
-1.7145341558E+00 3.1163101591E+00 4.2387094408E+00
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2.3918809828E+00 3.0429852141E+00 5.2388543650E-01
1.8415366859E+00 3.0429852141E+00 4.2387094408E+00
xangst16 4.0217467853E-01 5.4993708689E-01 5.2388543650E-01
-2.7517214847E-01 6.2326203181E-01 5.2388543650E-01
2.7517214847E-01 6.2326203181E-01 4.2387094408E+00
3.5560708417E+00 7.3324944919E-02 5.2388543650E-01
3.8312429902E+00 5.4993708689E-01 4.2387094408E+00
6.7734682700E-01 7.3324944919E-02 4.2387094408E+00
1.7145341558E+00 3.1163101591E+00 5.2388543650E-01
1.4393620074E+00 3.5929223010E+00 4.2387094408E+00
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2.3918809828E+00 3.0429852141E+00 5.2388543650E-01
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8.3000000000E-01 9.8000000000E-01 1.1000000000E-01
2.0000000000E-02 8.5000000000E-01 1.1000000000E-01
1.5000000000E-01 9.8000000000E-01 6.1000000000E-01
9.8000000000E-01 8.3000000000E-01 1.1000000000E-01
8.5000000000E-01 8.3000000000E-01 6.1000000000E-01
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
9.8000000000E-01 8.3000000000E-01 3.9000000000E-01
8.5000000000E-01 8.3000000000E-01 8.9000000000E-01
1.5000000000E-01 9.8000000000E-01 8.9000000000E-01
2.0000000000E-02 8.5000000000E-01 3.9000000000E-01
8.3000000000E-01 9.8000000000E-01 3.9000000000E-01
1.7000000000E-01 1.5000000000E-01 3.9000000000E-01
1.7000000000E-01 2.0000000000E-02 8.9000000000E-01
9.8000000000E-01 1.5000000000E-01 8.9000000000E-01
8.5000000000E-01 2.0000000000E-02 3.9000000000E-01
2.0000000000E-02 1.7000000000E-01 8.9000000000E-01
1.5000000000E-01 1.7000000000E-01 3.9000000000E-01
xred77 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
2.0000000000E-02 1.7000000000E-01 6.1000000000E-01
1.5000000000E-01 1.7000000000E-01 6.1000000000E-01
8.5000000000E-01 2.0000000000E-02 1.1000000000E-01
9.8000000000E-01 1.5000000000E-01 1.1000000000E-01
1.7000000000E-01 2.0000000000E-02 1.1000000000E-01
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
8.3000000000E-01 9.8000000000E-01 6.1000000000E-01
2.0000000000E-02 8.5000000000E-01 6.1000000000E-01
1.5000000000E-01 9.8000000000E-01 6.1000000000E-01
9.8000000000E-01 8.3000000000E-01 1.1000000000E-01
8.5000000000E-01 8.3000000000E-01 1.1000000000E-01
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
9.8000000000E-01 8.3000000000E-01 3.9000000000E-01
8.5000000000E-01 8.3000000000E-01 3.9000000000E-01
1.5000000000E-01 9.8000000000E-01 8.9000000000E-01
2.0000000000E-02 8.5000000000E-01 8.9000000000E-01
8.3000000000E-01 9.8000000000E-01 8.9000000000E-01
1.7000000000E-01 1.5000000000E-01 3.9000000000E-01
1.7000000000E-01 2.0000000000E-02 3.9000000000E-01
9.8000000000E-01 1.5000000000E-01 3.9000000000E-01
8.5000000000E-01 2.0000000000E-02 3.9000000000E-01
2.0000000000E-02 1.7000000000E-01 8.9000000000E-01
1.5000000000E-01 1.7000000000E-01 8.9000000000E-01
xred78 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
2.0000000000E-02 1.7000000000E-01 6.1000000000E-01
1.5000000000E-01 1.7000000000E-01 6.1000000000E-01
8.5000000000E-01 2.0000000000E-02 1.1000000000E-01
9.8000000000E-01 1.5000000000E-01 1.1000000000E-01
1.7000000000E-01 2.0000000000E-02 1.1000000000E-01
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
8.3000000000E-01 9.8000000000E-01 6.1000000000E-01
2.0000000000E-02 8.5000000000E-01 6.1000000000E-01
1.5000000000E-01 9.8000000000E-01 6.1000000000E-01
9.8000000000E-01 8.3000000000E-01 1.1000000000E-01
8.5000000000E-01 8.3000000000E-01 1.1000000000E-01
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
9.8000000000E-01 8.3000000000E-01 3.9000000000E-01
8.5000000000E-01 8.3000000000E-01 3.9000000000E-01
1.5000000000E-01 9.8000000000E-01 8.9000000000E-01
2.0000000000E-02 8.5000000000E-01 8.9000000000E-01
8.3000000000E-01 9.8000000000E-01 8.9000000000E-01
1.7000000000E-01 1.5000000000E-01 3.9000000000E-01
1.7000000000E-01 2.0000000000E-02 3.9000000000E-01
9.8000000000E-01 1.5000000000E-01 3.9000000000E-01
8.5000000000E-01 2.0000000000E-02 3.9000000000E-01
2.0000000000E-02 1.7000000000E-01 8.9000000000E-01
1.5000000000E-01 1.7000000000E-01 8.9000000000E-01
xred79 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
2.0000000000E-02 1.7000000000E-01 6.1000000000E-01
1.5000000000E-01 1.7000000000E-01 6.1000000000E-01
8.5000000000E-01 2.0000000000E-02 1.1000000000E-01
9.8000000000E-01 1.5000000000E-01 1.1000000000E-01
1.7000000000E-01 2.0000000000E-02 1.1000000000E-01
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
8.3000000000E-01 9.8000000000E-01 6.1000000000E-01
2.0000000000E-02 8.5000000000E-01 6.1000000000E-01
1.5000000000E-01 9.8000000000E-01 6.1000000000E-01
9.8000000000E-01 8.3000000000E-01 1.1000000000E-01
8.5000000000E-01 8.3000000000E-01 1.1000000000E-01
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
9.8000000000E-01 8.3000000000E-01 3.9000000000E-01
8.5000000000E-01 8.3000000000E-01 3.9000000000E-01
1.5000000000E-01 9.8000000000E-01 8.9000000000E-01
2.0000000000E-02 8.5000000000E-01 8.9000000000E-01
8.3000000000E-01 9.8000000000E-01 8.9000000000E-01
1.7000000000E-01 1.5000000000E-01 3.9000000000E-01
1.7000000000E-01 2.0000000000E-02 3.9000000000E-01
9.8000000000E-01 1.5000000000E-01 3.9000000000E-01
8.5000000000E-01 2.0000000000E-02 3.9000000000E-01
2.0000000000E-02 1.7000000000E-01 8.9000000000E-01
1.5000000000E-01 1.7000000000E-01 8.9000000000E-01
xred80 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
2.0000000000E-02 1.7000000000E-01 6.1000000000E-01
1.5000000000E-01 1.7000000000E-01 6.1000000000E-01
8.5000000000E-01 2.0000000000E-02 1.1000000000E-01
9.8000000000E-01 1.5000000000E-01 1.1000000000E-01
1.7000000000E-01 2.0000000000E-02 1.1000000000E-01
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
8.3000000000E-01 9.8000000000E-01 6.1000000000E-01
2.0000000000E-02 8.5000000000E-01 6.1000000000E-01
1.5000000000E-01 9.8000000000E-01 6.1000000000E-01
9.8000000000E-01 8.3000000000E-01 1.1000000000E-01
8.5000000000E-01 8.3000000000E-01 1.1000000000E-01
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
9.8000000000E-01 8.3000000000E-01 3.9000000000E-01
8.5000000000E-01 8.3000000000E-01 3.9000000000E-01
1.5000000000E-01 9.8000000000E-01 8.9000000000E-01
2.0000000000E-02 8.5000000000E-01 8.9000000000E-01
8.3000000000E-01 9.8000000000E-01 8.9000000000E-01
1.7000000000E-01 1.5000000000E-01 3.9000000000E-01
1.7000000000E-01 2.0000000000E-02 3.9000000000E-01
9.8000000000E-01 1.5000000000E-01 3.9000000000E-01
8.5000000000E-01 2.0000000000E-02 3.9000000000E-01
2.0000000000E-02 1.7000000000E-01 8.9000000000E-01
1.5000000000E-01 1.7000000000E-01 8.9000000000E-01
xred81 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
2.0000000000E-02 1.7000000000E-01 6.1000000000E-01
1.5000000000E-01 1.7000000000E-01 6.1000000000E-01
8.5000000000E-01 2.0000000000E-02 1.1000000000E-01
9.8000000000E-01 1.5000000000E-01 1.1000000000E-01
1.7000000000E-01 2.0000000000E-02 1.1000000000E-01
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
8.3000000000E-01 9.8000000000E-01 6.1000000000E-01
2.0000000000E-02 8.5000000000E-01 6.1000000000E-01
1.5000000000E-01 9.8000000000E-01 6.1000000000E-01
9.8000000000E-01 8.3000000000E-01 1.1000000000E-01
8.5000000000E-01 8.3000000000E-01 1.1000000000E-01
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
9.8000000000E-01 8.3000000000E-01 3.9000000000E-01
8.5000000000E-01 8.3000000000E-01 3.9000000000E-01
1.5000000000E-01 9.8000000000E-01 8.9000000000E-01
2.0000000000E-02 8.5000000000E-01 8.9000000000E-01
8.3000000000E-01 9.8000000000E-01 8.9000000000E-01
1.7000000000E-01 1.5000000000E-01 3.9000000000E-01
1.7000000000E-01 2.0000000000E-02 3.9000000000E-01
9.8000000000E-01 1.5000000000E-01 3.9000000000E-01
8.5000000000E-01 2.0000000000E-02 3.9000000000E-01
2.0000000000E-02 1.7000000000E-01 8.9000000000E-01
1.5000000000E-01 1.7000000000E-01 8.9000000000E-01
xred82 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
2.0000000000E-02 1.7000000000E-01 6.1000000000E-01
1.5000000000E-01 1.7000000000E-01 6.1000000000E-01
8.5000000000E-01 2.0000000000E-02 1.1000000000E-01
9.8000000000E-01 1.5000000000E-01 1.1000000000E-01
1.7000000000E-01 2.0000000000E-02 1.1000000000E-01
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
8.3000000000E-01 9.8000000000E-01 6.1000000000E-01
2.0000000000E-02 8.5000000000E-01 6.1000000000E-01
1.5000000000E-01 9.8000000000E-01 6.1000000000E-01
9.8000000000E-01 8.3000000000E-01 1.1000000000E-01
8.5000000000E-01 8.3000000000E-01 1.1000000000E-01
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
9.8000000000E-01 8.3000000000E-01 3.9000000000E-01
8.5000000000E-01 8.3000000000E-01 3.9000000000E-01
1.5000000000E-01 9.8000000000E-01 8.9000000000E-01
2.0000000000E-02 8.5000000000E-01 8.9000000000E-01
8.3000000000E-01 9.8000000000E-01 8.9000000000E-01
1.7000000000E-01 1.5000000000E-01 3.9000000000E-01
1.7000000000E-01 2.0000000000E-02 3.9000000000E-01
9.8000000000E-01 1.5000000000E-01 3.9000000000E-01
8.5000000000E-01 2.0000000000E-02 3.9000000000E-01
2.0000000000E-02 1.7000000000E-01 8.9000000000E-01
1.5000000000E-01 1.7000000000E-01 8.9000000000E-01
xred83 1.7000000000E-01 1.5000000000E-01 1.1000000000E-01
2.0000000000E-02 1.7000000000E-01 6.1000000000E-01
1.5000000000E-01 1.7000000000E-01 6.1000000000E-01
8.5000000000E-01 2.0000000000E-02 1.1000000000E-01
9.8000000000E-01 1.5000000000E-01 1.1000000000E-01
1.7000000000E-01 2.0000000000E-02 1.1000000000E-01
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
8.3000000000E-01 9.8000000000E-01 6.1000000000E-01
2.0000000000E-02 8.5000000000E-01 6.1000000000E-01
1.5000000000E-01 9.8000000000E-01 6.1000000000E-01
9.8000000000E-01 8.3000000000E-01 1.1000000000E-01
8.5000000000E-01 8.3000000000E-01 1.1000000000E-01
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
9.8000000000E-01 8.3000000000E-01 3.9000000000E-01
8.5000000000E-01 8.3000000000E-01 3.9000000000E-01
1.5000000000E-01 9.8000000000E-01 8.9000000000E-01
2.0000000000E-02 8.5000000000E-01 8.9000000000E-01
8.3000000000E-01 9.8000000000E-01 8.9000000000E-01
1.7000000000E-01 1.5000000000E-01 3.9000000000E-01
1.7000000000E-01 2.0000000000E-02 3.9000000000E-01
9.8000000000E-01 1.5000000000E-01 3.9000000000E-01
8.5000000000E-01 2.0000000000E-02 3.9000000000E-01
2.0000000000E-02 1.7000000000E-01 8.9000000000E-01
1.5000000000E-01 1.7000000000E-01 8.9000000000E-01
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.
chkinp: Checking input parameters for consistency, jdtset= 73.
chkinp: Checking input parameters for consistency, jdtset= 74.
chkinp: Checking input parameters for consistency, jdtset= 75.
chkinp: Checking input parameters for consistency, jdtset= 76.
chkinp: Checking input parameters for consistency, jdtset= 77.
chkinp: Checking input parameters for consistency, jdtset= 78.
chkinp: Checking input parameters for consistency, jdtset= 79.
chkinp: Checking input parameters for consistency, jdtset= 80.
chkinp: Checking input parameters for consistency, jdtset= 81.
chkinp: Checking input parameters for consistency, jdtset= 82.
chkinp: Checking input parameters for consistency, jdtset= 83.
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= 13.2 wall= 13.2
================================================================================
Calculation completed.
.Delivered 0 WARNINGs and 85 COMMENTs to log file.
+Overall time at end (sec) : cpu= 13.2 wall= 13.2
Reference in New Issue View Git Blame Copy Permalink