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.Version 10.1.4.5 of ABINIT, released Sep 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 : Fri 13 Sep 2024.
- ( at 19h08 )
- input file -> /home/buildbot/ABINIT3/eos_gnu_13.2_mpich/trunk_merge-10.0/tests/TestBot_MPI1/v3_t27/t27.abi
- output file -> t27.abo
- root for input files -> t27i
- root for output files -> t27o
DATASET 1 : space group P4 (# 75); Bravais tP (primitive tetrag.)
================================================================================
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 = 12 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 4 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.698 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 2 : space group P4_1 (# 76); Bravais tP (primitive tetrag.)
================================================================================
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 = 12 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 4 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.698 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 3 : space group P4_2 (# 77); Bravais tP (primitive tetrag.)
================================================================================
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 = 12 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 4 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.698 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 4 : space group P4_3 (# 78); Bravais tP (primitive tetrag.)
================================================================================
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 = 12 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 4 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.698 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 5 : space group I4 (# 79); Bravais tI (body-center tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 5.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 4 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 0.578 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
================================================================================
DATASET 6 : space group I4_1 (# 80); Bravais tI (body-center tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 6.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 4 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 0.578 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
================================================================================
DATASET 7 : space group P-4 (# 81); Bravais tP (primitive tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 7.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 4 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.698 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 8 : space group I-4 (# 82); Bravais tI (body-center tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 8.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 12 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 4 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 0.578 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
================================================================================
DATASET 9 : space group P4/m (# 83); Bravais tP (primitive tetrag.)
================================================================================
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 = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 10 : space group P4_2/m (# 84); Bravais tP (primitive tetrag.)
================================================================================
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 = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 11 : space group P4/n (# 85); Bravais tP (primitive tetrag.)
================================================================================
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 = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 12 : space group P4_2/n (# 86); Bravais tP (primitive tetrag.)
================================================================================
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 = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 13 : space group I4/m (# 87); Bravais tI (body-center tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 13.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 0.675 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
================================================================================
DATASET 14 : space group I4_1/a (# 88); Bravais tI (body-center tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 14.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 0.675 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
================================================================================
DATASET 15 : space group P4 2 2 (# 89); Bravais tP (primitive tetrag.)
================================================================================
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 = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 16 : space group P4 2_1 2 (# 90); Bravais tP (primitive tetrag.)
================================================================================
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 = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 17 : space group P4_1 2 2 (# 91); Bravais tP (primitive tetrag.)
================================================================================
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 = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 18 : space group P4_1 2_1 2 (# 92); Bravais tP (primitive tetrag.)
================================================================================
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 = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 19 : space group P4_2 2 2 (# 93); Bravais tP (primitive tetrag.)
================================================================================
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 = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 20 : space group P4_2 2_1 2 (# 94); Bravais tP (primitive tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 20.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 21 : space group P4_3 2 2 (# 95); Bravais tP (primitive tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 21.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 22 : space group P4_3 2_1 2 (# 96); Bravais tP (primitive tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 22.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 23 : space group I4 2 2 (# 97); Bravais tI (body-center tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 23.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 0.675 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
================================================================================
DATASET 24 : space group I4_1 2 2 (# 98); Bravais tI (body-center tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 24.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 0.675 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
================================================================================
DATASET 25 : space group P4 m m (# 99); Bravais tP (primitive tetrag.)
================================================================================
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 = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 26 : space group P4 b m (#100); Bravais tP (primitive tetrag.)
================================================================================
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 = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 27 : space group P4_2 c m (#101); Bravais tP (primitive tetrag.)
================================================================================
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 = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 28 : space group P4_2 n m (#102); Bravais tP (primitive tetrag.)
================================================================================
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 = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 29 : space group P4 c c (#103); Bravais tP (primitive tetrag.)
================================================================================
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 = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 30 : space group P4 n c (#104); Bravais tP (primitive tetrag.)
================================================================================
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 = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 31 : space group P4_2 m c (#105); Bravais tP (primitive tetrag.)
================================================================================
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 = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 32 : space group P4_2 b c (#106); Bravais tP (primitive tetrag.)
================================================================================
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 = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 33 : space group I4 m m (#107); Bravais tI (body-center tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 33.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 0.675 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
================================================================================
DATASET 34 : space group I4 c m (#108); Bravais tI (body-center tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 34.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 0.675 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
================================================================================
DATASET 35 : space group I4_1 m d (#109); Bravais tI (body-center tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 35.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 0.675 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
================================================================================
DATASET 36 : space group I4_1 c d (#110); Bravais tI (body-center tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 36.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 0.675 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
================================================================================
DATASET 37 : space group P-4 2 m (#111); Bravais tP (primitive tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 37.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 38 : space group P-4 2 c (#112); Bravais tP (primitive tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 38.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 39 : space group P-4 2_1 m (#113); Bravais tP (primitive tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 39.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 40 : space group P-4 2_1 c (#114); Bravais tP (primitive tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 40.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 41 : space group P-4 m 2 (#115); Bravais tP (primitive tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 41.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 42 : space group P-4 c 2 (#116); Bravais tP (primitive tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 42.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 43 : space group P-4 b 2 (#117); Bravais tP (primitive tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 43.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 44 : space group P-4 n 2 (#118); Bravais tP (primitive tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 44.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 0.800 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.005 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 45 : space group I-4 m 2 (#119); Bravais tI (body-center tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 45.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 0.675 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
================================================================================
DATASET 46 : space group I-4 c 2 (#120); Bravais tI (body-center tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 46.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 0.675 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
================================================================================
DATASET 47 : space group I-4 2 m (#121); Bravais tI (body-center tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 47.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 0.675 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
================================================================================
DATASET 48 : space group I-4 2 d (#122); Bravais tI (body-center tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 48.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 24 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 15 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 0.675 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
================================================================================
DATASET 49 : space group P4/m m m (#123); Bravais tP (primitive tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 49.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.043 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 50 : space group P4/m c c (#124); Bravais tP (primitive tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 50.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.043 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 51 : space group P4/n b m (#125); Bravais tP (primitive tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 51.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.043 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 52 : space group P4/n n c (#126); Bravais tP (primitive tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 52.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.043 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 53 : space group P4/m b m (#127); Bravais tP (primitive tetrag.)
================================================================================
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 = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.043 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 54 : space group P4/m n c (#128); Bravais tP (primitive tetrag.)
================================================================================
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 = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.043 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 55 : space group P4/n m m (#129); Bravais tP (primitive tetrag.)
================================================================================
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 = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.043 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 56 : space group P4/n c c (#130); Bravais tP (primitive tetrag.)
================================================================================
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 = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.043 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 57 : space group P4_2/m m c (#131); Bravais tP (primitive tetrag.)
================================================================================
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 = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.043 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 58 : space group P4_2/m c m (#132); Bravais tP (primitive tetrag.)
================================================================================
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 = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.043 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 59 : space group P4_2/n b c (#133); Bravais tP (primitive tetrag.)
================================================================================
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 = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.043 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 60 : space group P4_2/n n m (#134); Bravais tP (primitive tetrag.)
================================================================================
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 = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.043 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 61 : space group P4_2/m b c (#135); Bravais tP (primitive tetrag.)
================================================================================
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 = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.043 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 62 : space group P4_2/m n m (#136); Bravais tP (primitive tetrag.)
================================================================================
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 = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.043 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 63 : space group P4_2/n m c (#137); Bravais tP (primitive tetrag.)
================================================================================
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 = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.043 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 64 : space group P4_2/n c m (#138); Bravais tP (primitive tetrag.)
================================================================================
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 = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 11 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.043 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.007 Mbytes ; DEN or POT disk file : 0.007 Mbytes.
================================================================================
DATASET 65 : space group I4/m m m (#139); Bravais tI (body-center tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 65.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 0.909 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
================================================================================
DATASET 66 : space group I4/m c m (#140); Bravais tI (body-center tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 66.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 0.909 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
================================================================================
DATASET 67 : space group I4_1/a m d (#141); Bravais tI (body-center tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 67.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 0.909 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
================================================================================
DATASET 68 : space group I4_1/a c d (#142); Bravais tI (body-center tetrag.)
================================================================================
Values of the parameters that define the memory need for DATASET 68.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 6 mpssoang = 1 mqgrid = 3001
natom = 48 nloc_mem = 1 nspden = 1 nspinor = 1
nsppol = 1 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 1 xclevel = 1
- mband = 30 mffmem = 1 mkmem = 1
mpw = 8 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 0.909 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.004 Mbytes.
================================================================================
--------------------------------------------------------------------------------
------------- Echo of variables that govern the present computation ------------
--------------------------------------------------------------------------------
-
- outvars: echo of selected default values
- iomode0 = 0 , fftalg0 =512 , wfoptalg0 = 0
-
- outvars: echo of global parameters not present in the input file
- max_nthreads = 0
-
-outvars: echo values of preprocessed input variables --------
acell1 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell2 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell3 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell4 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell5 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell6 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell7 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell8 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell9 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell10 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell11 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell12 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell13 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell14 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell15 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell16 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell17 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell18 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell19 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell20 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell21 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell22 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell23 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell24 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell25 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell26 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell27 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell28 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell29 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell30 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell31 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell32 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell33 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell34 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell35 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell36 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell37 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell38 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell39 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell40 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell41 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell42 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell43 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell44 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell45 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell46 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell47 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell48 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell49 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell50 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell51 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell52 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell53 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell54 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell55 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell56 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell57 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell58 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell59 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell60 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell61 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell62 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell63 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell64 7.0000000000E+00 7.0000000000E+00 9.0000000000E+00 Bohr
acell65 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell66 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell67 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell68 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
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
kptopt 0
P mkmem 1
natom1 12
natom2 12
natom3 12
natom4 12
natom5 12
natom6 12
natom7 12
natom8 12
natom9 24
natom10 24
natom11 24
natom12 24
natom13 24
natom14 24
natom15 24
natom16 24
natom17 24
natom18 24
natom19 24
natom20 24
natom21 24
natom22 24
natom23 24
natom24 24
natom25 24
natom26 24
natom27 24
natom28 24
natom29 24
natom30 24
natom31 24
natom32 24
natom33 24
natom34 24
natom35 24
natom36 24
natom37 24
natom38 24
natom39 24
natom40 24
natom41 24
natom42 24
natom43 24
natom44 24
natom45 24
natom46 24
natom47 24
natom48 24
natom49 48
natom50 48
natom51 48
natom52 48
natom53 48
natom54 48
natom55 48
natom56 48
natom57 48
natom58 48
natom59 48
natom60 48
natom61 48
natom62 48
natom63 48
natom64 48
natom65 48
natom66 48
natom67 48
natom68 48
nband1 8
nband2 8
nband3 8
nband4 8
nband5 8
nband6 8
nband7 8
nband8 8
nband9 15
nband10 15
nband11 15
nband12 15
nband13 15
nband14 15
nband15 15
nband16 15
nband17 15
nband18 15
nband19 15
nband20 15
nband21 15
nband22 15
nband23 15
nband24 15
nband25 15
nband26 15
nband27 15
nband28 15
nband29 15
nband30 15
nband31 15
nband32 15
nband33 15
nband34 15
nband35 15
nband36 15
nband37 15
nband38 15
nband39 15
nband40 15
nband41 15
nband42 15
nband43 15
nband44 15
nband45 15
nband46 15
nband47 15
nband48 15
nband49 30
nband50 30
nband51 30
nband52 30
nband53 30
nband54 30
nband55 30
nband56 30
nband57 30
nband58 30
nband59 30
nband60 30
nband61 30
nband62 30
nband63 30
nband64 30
nband65 30
nband66 30
nband67 30
nband68 30
ndtset 68
ngfft1 8 8 10
ngfft2 8 8 10
ngfft3 8 8 10
ngfft4 8 8 10
ngfft5 6 6 6
ngfft6 6 6 6
ngfft7 8 8 10
ngfft8 6 6 6
ngfft9 8 8 10
ngfft10 8 8 10
ngfft11 8 8 10
ngfft12 8 8 10
ngfft13 6 6 6
ngfft14 6 6 6
ngfft15 8 8 10
ngfft16 8 8 10
ngfft17 8 8 10
ngfft18 8 8 10
ngfft19 8 8 10
ngfft20 8 8 10
ngfft21 8 8 10
ngfft22 8 8 10
ngfft23 6 6 6
ngfft24 6 6 6
ngfft25 8 8 10
ngfft26 8 8 10
ngfft27 8 8 10
ngfft28 8 8 10
ngfft29 8 8 10
ngfft30 8 8 10
ngfft31 8 8 10
ngfft32 8 8 10
ngfft33 6 6 6
ngfft34 6 6 6
ngfft35 6 6 6
ngfft36 6 6 6
ngfft37 8 8 10
ngfft38 8 8 10
ngfft39 8 8 10
ngfft40 8 8 10
ngfft41 8 8 10
ngfft42 8 8 10
ngfft43 8 8 10
ngfft44 8 8 10
ngfft45 6 6 6
ngfft46 6 6 6
ngfft47 6 6 6
ngfft48 6 6 6
ngfft49 8 8 10
ngfft50 8 8 10
ngfft51 8 8 10
ngfft52 8 8 10
ngfft53 8 8 10
ngfft54 8 8 10
ngfft55 8 8 10
ngfft56 8 8 10
ngfft57 8 8 10
ngfft58 8 8 10
ngfft59 8 8 10
ngfft60 8 8 10
ngfft61 8 8 10
ngfft62 8 8 10
ngfft63 8 8 10
ngfft64 8 8 10
ngfft65 6 6 6
ngfft66 6 6 6
ngfft67 6 6 6
ngfft68 6 6 6
nkpt 1
nline 1
nstep 1
nsym1 4
nsym2 4
nsym3 4
nsym4 4
nsym5 4
nsym6 4
nsym7 4
nsym8 4
nsym9 8
nsym10 8
nsym11 8
nsym12 8
nsym13 8
nsym14 8
nsym15 8
nsym16 8
nsym17 8
nsym18 8
nsym19 8
nsym20 8
nsym21 8
nsym22 8
nsym23 8
nsym24 8
nsym25 8
nsym26 8
nsym27 8
nsym28 8
nsym29 8
nsym30 8
nsym31 8
nsym32 8
nsym33 8
nsym34 8
nsym35 8
nsym36 8
nsym37 8
nsym38 8
nsym39 8
nsym40 8
nsym41 8
nsym42 8
nsym43 8
nsym44 8
nsym45 8
nsym46 8
nsym47 8
nsym48 8
nsym49 16
nsym50 16
nsym51 16
nsym52 16
nsym53 16
nsym54 16
nsym55 16
nsym56 16
nsym57 16
nsym58 16
nsym59 16
nsym60 16
nsym61 16
nsym62 16
nsym63 16
nsym64 16
nsym65 16
nsym66 16
nsym67 16
nsym68 16
ntypat 1
occ1 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000
occ2 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000
occ3 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000
occ4 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000
occ5 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000
occ6 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000
occ7 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000
occ8 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000
occ9 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ10 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ11 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ12 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ13 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ14 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ15 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ16 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ17 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ18 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ19 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ20 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ21 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ22 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ23 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ24 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ25 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ26 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ27 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ28 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ29 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ30 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ31 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ32 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ33 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ34 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ35 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ36 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ37 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ38 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ39 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ40 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ41 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ42 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ43 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ44 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ45 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ46 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ47 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ48 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000
occ49 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ50 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ51 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ52 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ53 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ54 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ55 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ56 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ57 2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
2.000000 2.000000 2.000000 2.000000 2.000000 2.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
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typat17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat20 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat21 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat22 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat23 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat27 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat29 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat30 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat31 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat32 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat33 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat34 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat35 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat37 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat38 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat39 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat40 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat41 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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typat42 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat43 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat44 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat45 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat46 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat47 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1
typat49 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1
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1 1 1 1 1 1 1 1
typat52 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1
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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
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typat59 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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1 1 1 1 1 1 1 1
xangst1 6.2972087822E-01 5.5563606902E-01 5.2388543650E-01
2.7189124977E+00 1.7298802949E+00 3.1433126190E+00
1.6298658025E+00 3.0522941391E+00 1.4961691807E+00
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9.8532796239E-01 1.9743601652E+00 3.1433126190E+00
2.0743746577E+00 6.5194632098E-01 1.4961691807E+00
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1.7298802949E+00 9.8532796239E-01 3.1433126190E+00
3.0522941391E+00 2.0743746577E+00 1.4961691807E+00
xangst2 6.2972087822E-01 5.5563606902E-01 5.2388543650E-01
2.7189124977E+00 1.7298802949E+00 3.1433126190E+00
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6.5194632098E-01 1.6298658025E+00 2.6868179000E+00
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9.8532796239E-01 1.9743601652E+00 7.6201518037E-01
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1.7298802949E+00 9.8532796239E-01 1.9526638997E+00
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xangst3 6.2972087822E-01 5.5563606902E-01 5.2388543650E-01
2.7189124977E+00 1.7298802949E+00 3.1433126190E+00
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6.5194632098E-01 1.6298658025E+00 3.8774666194E+00
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9.8532796239E-01 1.9743601652E+00 3.1433126190E+00
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1.7298802949E+00 9.8532796239E-01 7.6201518037E-01
3.0522941391E+00 2.0743746577E+00 3.8774666194E+00
xangst4 6.2972087822E-01 5.5563606902E-01 5.2388543650E-01
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1.7298802949E+00 9.8532796239E-01 4.3339613384E+00
3.0522941391E+00 2.0743746577E+00 2.6868179000E+00
xangst5 6.2972087822E-01 5.5563606902E-01 5.2388543650E-01
8.6679226767E-01 -1.2223993518E-01 7.6201518037E-01
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6.5194632098E-01 1.6298658025E+00 1.4961691807E+00
1.2223993518E+00 1.2964841610E+00 2.9051828752E+00
2.8374481925E+00 1.2223993518E-01 7.6201518037E-01
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-1.2223993518E-01 2.8374481925E+00 7.6201518037E-01
-6.5194632098E-01 2.0743746577E+00 1.4961691807E+00
xangst6 6.2972087822E-01 5.5563606902E-01 5.2388543650E-01
8.6679226767E-01 -1.2223993518E-01 7.6201518037E-01
1.6298658025E+00 -6.5194632098E-01 1.4961691807E+00
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9.8532796239E-01 1.9743601652E+00 7.6201518037E-01
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1.7298802949E+00 9.8532796239E-01 1.9526638997E+00
1.2001739091E+00 2.2225442761E-01 2.6868179000E+00
xangst7 6.2972087822E-01 5.5563606902E-01 5.2388543650E-01
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9.8532796239E-01 1.9743601652E+00 3.1433126190E+00
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1.9743601652E+00 2.7189124977E+00 1.6192822583E+00
6.5194632098E-01 1.6298658025E+00 3.2664256966E+00
xangst8 6.2972087822E-01 5.5563606902E-01 5.2388543650E-01
8.6679226767E-01 -1.2223993518E-01 7.6201518037E-01
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2.8374481925E+00 1.2223993518E-01 7.6201518037E-01
2.0743746577E+00 6.5194632098E-01 1.4961691807E+00
5.5563606902E-01 3.0745195819E+00 -5.2388543650E-01
1.7298802949E+00 9.8532796239E-01 1.6192822583E+00
1.2001739091E+00 2.2225442761E-01 8.8512825795E-01
1.2964841610E+00 -1.2223993518E+00 1.8574120022E+00
1.9743601652E+00 -9.8532796239E-01 1.6192822583E+00
2.5040665510E+00 -2.2225442761E-01 8.8512825795E-01
xangst9 6.2972087822E-01 5.5563606902E-01 5.2388543650E-01
2.7189124977E+00 1.7298802949E+00 3.1433126190E+00
1.6298658025E+00 3.0522941391E+00 1.4961691807E+00
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1.9743601652E+00 2.7189124977E+00 3.1433126190E+00
6.5194632098E-01 1.6298658025E+00 1.4961691807E+00
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1.7298802949E+00 9.8532796239E-01 3.1433126190E+00
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1.7298802949E+00 9.8532796239E-01 1.6192822583E+00
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6.5194632098E-01 1.6298658025E+00 3.2664256966E+00
xangst10 6.2972087822E-01 5.5563606902E-01 5.2388543650E-01
2.7189124977E+00 1.7298802949E+00 3.1433126190E+00
1.6298658025E+00 3.0522941391E+00 1.4961691807E+00
3.1486043911E+00 6.2972087822E-01 2.9051828752E+00
1.9743601652E+00 2.7189124977E+00 7.6201518037E-01
6.5194632098E-01 1.6298658025E+00 3.8774666194E+00
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1.7298802949E+00 9.8532796239E-01 7.6201518037E-01
3.0522941391E+00 2.0743746577E+00 3.8774666194E+00
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9.8532796239E-01 1.9743601652E+00 1.6192822583E+00
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5.5563606902E-01 3.0745195819E+00 1.8574120022E+00
1.7298802949E+00 9.8532796239E-01 4.0005796969E+00
3.0522941391E+00 2.0743746577E+00 8.8512825795E-01
6.2972087822E-01 5.5563606902E-01 4.2387094408E+00
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1.9743601652E+00 2.7189124977E+00 4.0005796969E+00
6.5194632098E-01 1.6298658025E+00 8.8512825795E-01
xangst11 6.2972087822E-01 5.5563606902E-01 5.2388543650E-01
2.7189124977E+00 1.7298802949E+00 3.1433126190E+00
1.6298658025E+00 3.0522941391E+00 1.4961691807E+00
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9.8532796239E-01 1.9743601652E+00 3.1433126190E+00
2.0743746577E+00 6.5194632098E-01 1.4961691807E+00
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2.8374481925E+00 1.2223993518E-01 1.6192822583E+00
2.2225442761E-01 2.5040665510E+00 3.2664256966E+00
2.4818411083E+00 2.4077562991E+00 4.2387094408E+00
8.6679226767E-01 3.5820005249E+00 1.6192822583E+00
3.4819860325E+00 1.2001739091E+00 3.2664256966E+00
5.5563606902E-01 3.0745195819E+00 4.2387094408E+00
1.7298802949E+00 9.8532796239E-01 1.6192822583E+00
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1.9743601652E+00 2.7189124977E+00 1.6192822583E+00
6.5194632098E-01 1.6298658025E+00 3.2664256966E+00
xangst12 6.2972087822E-01 5.5563606902E-01 5.2388543650E-01
2.7189124977E+00 1.7298802949E+00 3.1433126190E+00
1.6298658025E+00 3.0522941391E+00 1.4961691807E+00
3.0745195819E+00 3.1486043911E+00 5.2388543650E-01
9.8532796239E-01 1.9743601652E+00 3.1433126190E+00
2.0743746577E+00 6.5194632098E-01 1.4961691807E+00
1.2964841610E+00 2.4818411083E+00 2.9051828752E+00
1.2223993518E-01 8.6679226767E-01 7.6201518037E-01
2.5040665510E+00 3.4819860325E+00 3.8774666194E+00
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1.7298802949E+00 9.8532796239E-01 1.6192822583E+00
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1.9743601652E+00 2.7189124977E+00 1.6192822583E+00
6.5194632098E-01 1.6298658025E+00 3.2664256966E+00
xangst13 6.2972087822E-01 5.5563606902E-01 5.2388543650E-01
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1.2300000000E-01 8.2400000000E-01 7.6700000000E-01
1.1185000000E-01 8.7585000000E-01 1.1600000000E-01
7.9000000000E-01 3.1000000000E-01 8.2000000000E-01
5.5700000000E-01 3.2400000000E-01 7.0100000000E-01
2.5985000000E-01 3.7585000000E-01 7.6400000000E-01
2.2000000000E-01 2.4000000000E-01 6.8000000000E-01
1.0600000000E-01 3.7300000000E-01 7.9900000000E-01
7.4585000000E-01 3.6185000000E-01 7.3600000000E-01
7.2000000000E-01 4.0000000000E-02 9.8000000000E-01
6.0600000000E-01 8.0700000000E-01 7.3300000000E-01
2.4585000000E-01 5.0985000000E-01 3.8400000000E-01
5.6000000000E-01 5.4000000000E-01 3.2000000000E-01
5.7400000000E-01 3.0700000000E-01 2.0100000000E-01
6.2585000000E-01 9.8500000000E-03 2.6400000000E-01
6.0000000000E-02 7.4000000000E-01 2.0000000000E-02
7.4000000000E-02 8.7300000000E-01 2.6700000000E-01
1.2585000000E-01 8.6185000000E-01 6.1600000000E-01
4.6000000000E-01 7.8000000000E-01 2.0000000000E-02
6.9300000000E-01 8.9400000000E-01 2.6700000000E-01
9.9015000000E-01 2.5415000000E-01 6.1600000000E-01
7.6000000000E-01 4.4000000000E-01 9.8000000000E-01
6.2700000000E-01 4.2600000000E-01 7.3300000000E-01
6.3815000000E-01 3.7415000000E-01 3.8400000000E-01
5.3000000000E-01 1.0000000000E-02 8.2000000000E-01
6.4400000000E-01 8.7700000000E-01 7.0100000000E-01
4.1500000000E-03 8.8815000000E-01 7.6400000000E-01
1.9000000000E-01 7.1000000000E-01 1.8000000000E-01
1.7600000000E-01 9.4300000000E-01 2.9900000000E-01
1.2415000000E-01 2.4015000000E-01 2.3600000000E-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.
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= 3.0 wall= 3.0
================================================================================
Calculation completed.
.Delivered 0 WARNINGs and 70 COMMENTs to log file.
+Overall time at end (sec) : cpu= 3.0 wall= 3.0
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