abinit/tests/v3/Refs/t34.abo

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.Version 10.2.4.2 of ABINIT, released Nov 2024.
.(MPI version, prepared for a x86_64_linux_gnu13.2 computer)
.Copyright (C) 1998-2025 ABINIT group .
ABINIT comes with ABSOLUTELY NO WARRANTY.
It is free software, and you are welcome to redistribute it
under certain conditions (GNU General Public License,
see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).
ABINIT is a project of the Universite Catholique de Louvain,
Corning Inc. and other collaborators, see ~abinit/doc/developers/contributors.txt .
Please read https://docs.abinit.org/theory/acknowledgments for suggested
acknowledgments of the ABINIT effort.
For more information, see https://www.abinit.org .
.Starting date : Wed 6 Nov 2024.
- ( at 20h10 )
- input file -> /home/buildbot/ABINIT3/eos_gnu_13.2_mpich/trunk_gonze-10.2/tests/Test_suite/v3_t34/t34.abi
- output file -> t34.abo
- root for input files -> t34i
- root for output files -> t34o
DATASET 1 : magnetic group, Shubnikov type IV
Fedorov space group Am m 2 (# 38)
Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
================================================================================
Values of the parameters that define the memory need for DATASET 1.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 9 nfft = 288 nkpt = 1
================================================================================
P This job should need less than 1.321 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
================================================================================
DATASET 2 : magnetic group, Shubnikov type IV
Fedorov space group Am m 2 (# 38)
Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
================================================================================
Values of the parameters that define the memory need for DATASET 2.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 9 nfft = 288 nkpt = 1
================================================================================
P This job should need less than 1.321 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
================================================================================
DATASET 3 : magnetic group, Shubnikov type IV
Fedorov space group Am m 2 (# 38)
Magnetic Bravais lattice oC_A (1-face-centered ortho., 1-face-magnetic, #17)
================================================================================
Values of the parameters that define the memory need for DATASET 3.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 9 nfft = 288 nkpt = 1
================================================================================
P This job should need less than 1.321 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
================================================================================
DATASET 4 : magnetic group, Shubnikov type IV
Fedorov space group Ab m 2 (# 39)
Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
================================================================================
Values of the parameters that define the memory need for DATASET 4.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 9 nfft = 288 nkpt = 1
================================================================================
P This job should need less than 1.321 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
================================================================================
DATASET 5 : magnetic group, Shubnikov type IV
Fedorov space group Ab m 2 (# 39)
Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
================================================================================
Values of the parameters that define the memory need for DATASET 5.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 9 nfft = 288 nkpt = 1
================================================================================
P This job should need less than 1.321 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
================================================================================
DATASET 6 : magnetic group, Shubnikov type IV
Fedorov space group Ab m 2 (# 39)
Magnetic Bravais lattice oC_A (1-face-centered ortho., 1-face-magnetic, #17)
================================================================================
Values of the parameters that define the memory need for DATASET 6.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 9 nfft = 288 nkpt = 1
================================================================================
P This job should need less than 1.321 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
================================================================================
DATASET 7 : magnetic group, Shubnikov type IV
Fedorov space group Am a 2 (# 40)
Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
================================================================================
Values of the parameters that define the memory need for DATASET 7.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 9 nfft = 288 nkpt = 1
================================================================================
P This job should need less than 1.321 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
================================================================================
DATASET 8 : magnetic group, Shubnikov type IV
Fedorov space group Am a 2 (# 40)
Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
================================================================================
Values of the parameters that define the memory need for DATASET 8.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 9 nfft = 288 nkpt = 1
================================================================================
P This job should need less than 1.321 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
================================================================================
DATASET 9 : magnetic group, Shubnikov type IV
Fedorov space group Am a 2 (# 40)
Magnetic Bravais lattice oC_A (1-face-centered ortho., 1-face-magnetic, #17)
================================================================================
Values of the parameters that define the memory need for DATASET 9.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 9 nfft = 288 nkpt = 1
================================================================================
P This job should need less than 1.321 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
================================================================================
DATASET 10 : magnetic group, Shubnikov type IV
Fedorov space group Ab a 2 (# 41)
Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
================================================================================
Values of the parameters that define the memory need for DATASET 10.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 9 nfft = 288 nkpt = 1
================================================================================
P This job should need less than 1.321 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
================================================================================
DATASET 11 : magnetic group, Shubnikov type IV
Fedorov space group Ab a 2 (# 41)
Magnetic Bravais lattice oC_(a,b,c) (1-face-cent. ortho., 1-magn., #15 or 16)
================================================================================
Values of the parameters that define the memory need for DATASET 11.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 9 nfft = 288 nkpt = 1
================================================================================
P This job should need less than 1.321 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
================================================================================
DATASET 12 : magnetic group, Shubnikov type IV
Fedorov space group Ab a 2 (# 41)
Magnetic Bravais lattice oC_A (1-face-centered ortho., 1-face-magnetic, #17)
================================================================================
Values of the parameters that define the memory need for DATASET 12.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 9 nfft = 288 nkpt = 1
================================================================================
P This job should need less than 1.321 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.006 Mbytes.
================================================================================
DATASET 13 : magnetic group, Shubnikov type IV
Fedorov space group Fm m 2 (# 42)
Magnetic Bravais lattice oF_s (face-center ortho., simple ortho. magnetic, #19)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 6 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.287 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 14 : magnetic group, Shubnikov type IV
Fedorov space group Fd d 2 (# 43)
Magnetic Bravais lattice oF_s (face-center ortho., simple ortho. magnetic, #19)
================================================================================
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 = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 6 nfft = 216 nkpt = 1
================================================================================
P This job should need less than 1.287 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.005 Mbytes.
================================================================================
DATASET 15 : magnetic group, Shubnikov type IV
Fedorov space group Im m 2 (# 44)
Magnetic Bravais lattice oI_c (body-center ortho., simple ortho. magn., #21)
================================================================================
Values of the parameters that define the memory need for DATASET 15.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 16 : magnetic group, Shubnikov type IV
Fedorov space group Im m 2 (# 44)
Magnetic Bravais lattice oI_c (body-center ortho., simple ortho. magn., #21)
================================================================================
Values of the parameters that define the memory need for DATASET 16.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 17 : magnetic group, Shubnikov type IV
Fedorov space group Ib a 2 (# 45)
Magnetic Bravais lattice oI_c (body-center ortho., simple ortho. magn., #21)
================================================================================
Values of the parameters that define the memory need for DATASET 17.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 18 : magnetic group, Shubnikov type IV
Fedorov space group Ib a 2 (# 45)
Magnetic Bravais lattice oI_c (body-center ortho., simple ortho. magn., #21)
================================================================================
Values of the parameters that define the memory need for DATASET 18.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 19 : magnetic group, Shubnikov type IV
Fedorov space group Im a 2 (# 46)
Magnetic Bravais lattice oI_c (body-center ortho., simple ortho. magn., #21)
================================================================================
Values of the parameters that define the memory need for DATASET 19.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 20 : magnetic group, Shubnikov type IV
Fedorov space group Im a 2 (# 46)
Magnetic Bravais lattice oI_c (body-center ortho., simple ortho. magn., #21)
================================================================================
Values of the parameters that define the memory need for DATASET 20.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 21 : magnetic group, Shubnikov type IV
Fedorov space group Im a 2 (# 46)
Magnetic Bravais lattice oI_c (body-center ortho., simple ortho. magn., #21)
================================================================================
Values of the parameters that define the memory need for DATASET 21.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 8 mpssoang = 1 mqgrid = 3001
natom = 8 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 8 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 8 mffmem = 1 mkmem = 1
mpw = 8 nfft = 512 nkpt = 1
================================================================================
P This job should need less than 1.415 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.004 Mbytes ; DEN or POT disk file : 0.010 Mbytes.
================================================================================
DATASET 22 : magnetic group, Shubnikov type IV
Fedorov space group Pm m m (# 47)
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 23 : magnetic group, Shubnikov type IV
Fedorov space group Pm m m (# 47)
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
================================================================================
Values of the parameters that define the memory need for DATASET 23.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 24 : magnetic group, Shubnikov type IV
Fedorov space group Pm m m (# 47)
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 25 : magnetic group, Shubnikov type IV
Fedorov space group Pn n n (# 48)
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
================================================================================
Values of the parameters that define the memory need for DATASET 25.
intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
lnmax = 1 mgfft = 10 mpssoang = 1 mqgrid = 3001
natom = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 26 : magnetic group, Shubnikov type IV
Fedorov space group Pn n n (# 48)
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 27 : magnetic group, Shubnikov type IV
Fedorov space group Pn n n (# 48)
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 28 : magnetic group, Shubnikov type IV
Fedorov space group Pc c m (# 49)
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 29 : magnetic group, Shubnikov type IV
Fedorov space group Pc c m (# 49)
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 30 : magnetic group, Shubnikov type IV
Fedorov space group Pc c m (# 49)
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 31 : magnetic group, Shubnikov type IV
Fedorov space group Pc c m (# 49)
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 32 : magnetic group, Shubnikov type IV
Fedorov space group Pc c m (# 49)
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 33 : magnetic group, Shubnikov type IV
Fedorov space group Pb a n (# 50)
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 34 : magnetic group, Shubnikov type IV
Fedorov space group Pb a n (# 50)
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 35 : magnetic group, Shubnikov type IV
Fedorov space group Pb a n (# 50)
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 36 : magnetic group, Shubnikov type IV
Fedorov space group Pb a n (# 50)
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 37 : magnetic group, Shubnikov type IV
Fedorov space group Pb a n (# 50)
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 38 : magnetic group, Shubnikov type IV
Fedorov space group Pm m a (# 51)
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 39 : magnetic group, Shubnikov type IV
Fedorov space group Pm m a (# 51)
Magnetic Bravais lattice oP_b (primitive ortho., b-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 40 : magnetic group, Shubnikov type IV
Fedorov space group Pm m a (# 51)
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 41 : magnetic group, Shubnikov type IV
Fedorov space group Pm m a (# 51)
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 42 : magnetic group, Shubnikov type IV
Fedorov space group Pm m a (# 51)
Magnetic Bravais lattice oP_B (primitive ortho., B-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 43 : magnetic group, Shubnikov type IV
Fedorov space group Pm m a (# 51)
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 44 : magnetic group, Shubnikov type IV
Fedorov space group Pm m a (# 51)
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 45 : magnetic group, Shubnikov type IV
Fedorov space group Pn n a (# 52)
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 46 : magnetic group, Shubnikov type IV
Fedorov space group Pn n a (# 52)
Magnetic Bravais lattice oP_b (primitive ortho., b-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 47 : magnetic group, Shubnikov type IV
Fedorov space group Pn n a (# 52)
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 48 : magnetic group, Shubnikov type IV
Fedorov space group Pn n a (# 52)
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 49 : magnetic group, Shubnikov type IV
Fedorov space group Pn n a (# 52)
Magnetic Bravais lattice oP_B (primitive ortho., B-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 50 : magnetic group, Shubnikov type IV
Fedorov space group Pn n a (# 52)
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 51 : magnetic group, Shubnikov type IV
Fedorov space group Pn n a (# 52)
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 52 : magnetic group, Shubnikov type IV
Fedorov space group Pm n a (# 53)
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 53 : magnetic group, Shubnikov type IV
Fedorov space group Pm n a (# 53)
Magnetic Bravais lattice oP_b (primitive ortho., b-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 54 : magnetic group, Shubnikov type IV
Fedorov space group Pm n a (# 53)
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 55 : magnetic group, Shubnikov type IV
Fedorov space group Pm n a (# 53)
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 56 : magnetic group, Shubnikov type IV
Fedorov space group Pm n a (# 53)
Magnetic Bravais lattice oP_B (primitive ortho., B-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 57 : magnetic group, Shubnikov type IV
Fedorov space group Pm n a (# 53)
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 58 : magnetic group, Shubnikov type IV
Fedorov space group Pm n a (# 53)
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 59 : magnetic group, Shubnikov type IV
Fedorov space group Pc c a (# 54)
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 60 : magnetic group, Shubnikov type IV
Fedorov space group Pc c a (# 54)
Magnetic Bravais lattice oP_b (primitive ortho., b-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 61 : magnetic group, Shubnikov type IV
Fedorov space group Pc c a (# 54)
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 62 : magnetic group, Shubnikov type IV
Fedorov space group Pc c a (# 54)
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 63 : magnetic group, Shubnikov type IV
Fedorov space group Pc c a (# 54)
Magnetic Bravais lattice oP_B (primitive ortho., B-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 64 : magnetic group, Shubnikov type IV
Fedorov space group Pc c a (# 54)
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 65 : magnetic group, Shubnikov type IV
Fedorov space group Pc c a (# 54)
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 66 : magnetic group, Shubnikov type IV
Fedorov space group Pb a m (# 55)
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 67 : magnetic group, Shubnikov type IV
Fedorov space group Pb a m (# 55)
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 68 : magnetic group, Shubnikov type IV
Fedorov space group Pb a m (# 55)
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 69 : magnetic group, Shubnikov type IV
Fedorov space group Pb a m (# 55)
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 70 : magnetic group, Shubnikov type IV
Fedorov space group Pb a m (# 55)
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 71 : magnetic group, Shubnikov type IV
Fedorov space group Pc c n (# 56)
Magnetic Bravais lattice oP_a (primitive ortho., a-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 72 : magnetic group, Shubnikov type IV
Fedorov space group Pc c n (# 56)
Magnetic Bravais lattice oP_c (primitive ortho., c-magnetic, #11)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 73 : magnetic group, Shubnikov type IV
Fedorov space group Pc c n (# 56)
Magnetic Bravais lattice oP_A (primitive ortho., A-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 74 : magnetic group, Shubnikov type IV
Fedorov space group Pc c n (# 56)
Magnetic Bravais lattice oP_C (primitive ortho., C-magnetic, #12)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 Mbytes ; DEN or POT disk file : 0.012 Mbytes.
================================================================================
DATASET 75 : magnetic group, Shubnikov type IV
Fedorov space group Pc c n (# 56)
Magnetic Bravais lattice oP_I (primitive ortho., centered magnetic, #13)
================================================================================
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 = 16 nloc_mem = 1 nspden = 2 nspinor = 1
nsppol = 2 nsym = 16 n1xccc = 0 ntypat = 1
occopt = 7 xclevel = 1
- mband = 16 mffmem = 1 mkmem = 1
mpw = 15 nfft = 640 nkpt = 1
================================================================================
P This job should need less than 1.518 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
_ WF disk file : 0.009 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 --------
acell1 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell2 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell3 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell4 1.0000000000E+00 1.0000000000E+00 1.0000000000E+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 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell8 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell9 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell10 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell11 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell12 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell13 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell14 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell15 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell16 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell17 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell18 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell19 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell20 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell21 1.0000000000E+00 1.0000000000E+00 1.0000000000E+00 Bohr
acell22 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell23 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell24 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell25 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell26 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell27 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell28 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell29 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell30 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell31 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell32 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell33 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell34 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell35 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell36 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell37 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell38 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell39 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell40 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell41 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell42 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell43 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell44 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell45 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell46 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell47 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell48 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell49 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell50 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell51 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell52 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell53 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell54 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell55 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell56 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell57 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell58 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell59 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell60 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell61 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell62 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell63 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell64 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell65 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell66 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell67 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell68 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell69 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell70 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell71 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell72 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell73 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell74 7.0000000000E+00 8.0000000000E+00 9.0000000000E+00 Bohr
acell75 7.0000000000E+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
kptopt 0
P mkmem 1
natom1 8
natom2 8
natom3 8
natom4 8
natom5 8
natom6 8
natom7 8
natom8 8
natom9 8
natom10 8
natom11 8
natom12 8
natom13 8
natom14 8
natom15 8
natom16 8
natom17 8
natom18 8
natom19 8
natom20 8
natom21 8
natom22 16
natom23 16
natom24 16
natom25 16
natom26 16
natom27 16
natom28 16
natom29 16
natom30 16
natom31 16
natom32 16
natom33 16
natom34 16
natom35 16
natom36 16
natom37 16
natom38 16
natom39 16
natom40 16
natom41 16
natom42 16
natom43 16
natom44 16
natom45 16
natom46 16
natom47 16
natom48 16
natom49 16
natom50 16
natom51 16
natom52 16
natom53 16
natom54 16
natom55 16
natom56 16
natom57 16
natom58 16
natom59 16
natom60 16
natom61 16
natom62 16
natom63 16
natom64 16
natom65 16
natom66 16
natom67 16
natom68 16
natom69 16
natom70 16
natom71 16
natom72 16
natom73 16
natom74 16
natom75 16
nband1 8
nband2 8
nband3 8
nband4 8
nband5 8
nband6 8
nband7 8
nband8 8
nband9 8
nband10 8
nband11 8
nband12 8
nband13 8
nband14 8
nband15 8
nband16 8
nband17 8
nband18 8
nband19 8
nband20 8
nband21 8
nband22 16
nband23 16
nband24 16
nband25 16
nband26 16
nband27 16
nband28 16
nband29 16
nband30 16
nband31 16
nband32 16
nband33 16
nband34 16
nband35 16
nband36 16
nband37 16
nband38 16
nband39 16
nband40 16
nband41 16
nband42 16
nband43 16
nband44 16
nband45 16
nband46 16
nband47 16
nband48 16
nband49 16
nband50 16
nband51 16
nband52 16
nband53 16
nband54 16
nband55 16
nband56 16
nband57 16
nband58 16
nband59 16
nband60 16
nband61 16
nband62 16
nband63 16
nband64 16
nband65 16
nband66 16
nband67 16
nband68 16
nband69 16
nband70 16
nband71 16
nband72 16
nband73 16
nband74 16
nband75 16
ndtset 75
ngfft1 8 6 6
ngfft2 8 6 6
ngfft3 8 6 6
ngfft4 8 6 6
ngfft5 8 6 6
ngfft6 8 6 6
ngfft7 8 6 6
ngfft8 8 6 6
ngfft9 8 6 6
ngfft10 8 6 6
ngfft11 8 6 6
ngfft12 8 6 6
ngfft13 6 6 6
ngfft14 6 6 6
ngfft15 8 8 8
ngfft16 8 8 8
ngfft17 8 8 8
ngfft18 8 8 8
ngfft19 8 8 8
ngfft20 8 8 8
ngfft21 8 8 8
ngfft22 8 8 10
ngfft23 8 8 10
ngfft24 8 8 10
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 8 8 10
ngfft34 8 8 10
ngfft35 8 8 10
ngfft36 8 8 10
ngfft37 8 8 10
ngfft38 8 8 10
ngfft39 8 8 10
ngfft40 8 8 10
ngfft41 8 8 10
ngfft42 8 8 10
ngfft43 8 8 10
ngfft44 8 8 10
ngfft45 8 8 10
ngfft46 8 8 10
ngfft47 8 8 10
ngfft48 8 8 10
ngfft49 8 8 10
ngfft50 8 8 10
ngfft51 8 8 10
ngfft52 8 8 10
ngfft53 8 8 10
ngfft54 8 8 10
ngfft55 8 8 10
ngfft56 8 8 10
ngfft57 8 8 10
ngfft58 8 8 10
ngfft59 8 8 10
ngfft60 8 8 10
ngfft61 8 8 10
ngfft62 8 8 10
ngfft63 8 8 10
ngfft64 8 8 10
ngfft65 8 8 10
ngfft66 8 8 10
ngfft67 8 8 10
ngfft68 8 8 10
ngfft69 8 8 10
ngfft70 8 8 10
ngfft71 8 8 10
ngfft72 8 8 10
ngfft73 8 8 10
ngfft74 8 8 10
ngfft75 8 8 10
nkpt 1
nline 1
nspden 2
nsppol 2
nstep 1
nsym1 8
nsym2 8
nsym3 8
nsym4 8
nsym5 8
nsym6 8
nsym7 8
nsym8 8
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 16
nsym23 16
nsym24 16
nsym25 16
nsym26 16
nsym27 16
nsym28 16
nsym29 16
nsym30 16
nsym31 16
nsym32 16
nsym33 16
nsym34 16
nsym35 16
nsym36 16
nsym37 16
nsym38 16
nsym39 16
nsym40 16
nsym41 16
nsym42 16
nsym43 16
nsym44 16
nsym45 16
nsym46 16
nsym47 16
nsym48 16
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
nsym69 16
nsym70 16
nsym71 16
nsym72 16
nsym73 16
nsym74 16
nsym75 16
ntypat 1
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occ44 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ45 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ46 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ47 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ48 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ49 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ50 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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occ51 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ52 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ53 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ54 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ55 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ56 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ57 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ58 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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occ59 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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occ60 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ61 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ62 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ63 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ64 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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occ65 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ66 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ67 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ68 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ69 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ70 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ71 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ72 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
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occ73 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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occ74 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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occ75 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
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1.000000 1.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000
occopt 7
prtvol -1
rprim1 7.0000000000E+00 0.0000000000E+00 0.0000000000E+00
5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
3.0616169979E-17 -4.0000000000E+00 4.5000000000E+00
rprim2 7.0000000000E+00 0.0000000000E+00 0.0000000000E+00
5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
3.0616169979E-17 -4.0000000000E+00 4.5000000000E+00
rprim3 7.0000000000E+00 0.0000000000E+00 0.0000000000E+00
5.2047488964E-16 4.0000000000E+00 4.5000000000E+00
3.0616169979E-17 -4.0000000000E+00 4.5000000000E+00
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0.5000000 0.5000000 0.0000000 0.5000000 0.5000000 0.0000000
1.0000000 1.0000000 0.0000000 1.0000000 1.0000000 0.0000000
tnons70 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.5000000 0.5000000 0.0000000 0.5000000 0.5000000 0.0000000
-0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000
0.5000000 0.5000000 -0.0000000 0.5000000 0.5000000 -0.0000000
0.5000000 0.5000000 0.5000000 0.5000000 0.5000000 0.5000000
1.0000000 1.0000000 0.5000000 1.0000000 1.0000000 0.5000000
0.5000000 0.5000000 0.5000000 0.5000000 0.5000000 0.5000000
1.0000000 1.0000000 0.5000000 1.0000000 1.0000000 0.5000000
tnons71 0.0000000 0.0000000 0.0000000 0.5000000 0.5000000 0.0000000
0.0000000 0.5000000 0.5000000 0.5000000 0.0000000 0.5000000
-0.0000000 -0.0000000 -0.0000000 0.5000000 0.5000000 -0.0000000
-0.0000000 0.5000000 0.5000000 0.5000000 -0.0000000 0.5000000
0.5000000 0.0000000 0.0000000 1.0000000 0.5000000 0.0000000
0.5000000 0.5000000 0.5000000 1.0000000 0.0000000 0.5000000
0.5000000 0.0000000 0.0000000 1.0000000 0.5000000 0.0000000
0.5000000 0.5000000 0.5000000 1.0000000 0.0000000 0.5000000
tnons72 0.0000000 0.0000000 0.0000000 0.5000000 0.5000000 0.0000000
0.0000000 0.5000000 0.5000000 0.5000000 0.0000000 0.5000000
-0.0000000 -0.0000000 -0.0000000 0.5000000 0.5000000 -0.0000000
-0.0000000 0.5000000 0.5000000 0.5000000 -0.0000000 0.5000000
0.0000000 0.0000000 0.5000000 0.5000000 0.5000000 0.5000000
0.0000000 0.5000000 1.0000000 0.5000000 0.0000000 1.0000000
0.0000000 0.0000000 0.5000000 0.5000000 0.5000000 0.5000000
0.0000000 0.5000000 1.0000000 0.5000000 0.0000000 1.0000000
tnons73 0.0000000 0.0000000 0.0000000 0.5000000 0.5000000 0.0000000
0.0000000 0.5000000 0.5000000 0.5000000 0.0000000 0.5000000
-0.0000000 -0.0000000 -0.0000000 0.5000000 0.5000000 -0.0000000
-0.0000000 0.5000000 0.5000000 0.5000000 -0.0000000 0.5000000
0.0000000 0.5000000 0.5000000 0.5000000 1.0000000 0.5000000
0.0000000 1.0000000 1.0000000 0.5000000 0.5000000 1.0000000
0.0000000 0.5000000 0.5000000 0.5000000 1.0000000 0.5000000
0.0000000 1.0000000 1.0000000 0.5000000 0.5000000 1.0000000
tnons74 0.0000000 0.0000000 0.0000000 0.5000000 0.5000000 0.0000000
0.0000000 0.5000000 0.5000000 0.5000000 0.0000000 0.5000000
-0.0000000 -0.0000000 -0.0000000 0.5000000 0.5000000 -0.0000000
-0.0000000 0.5000000 0.5000000 0.5000000 -0.0000000 0.5000000
0.5000000 0.5000000 0.0000000 1.0000000 1.0000000 0.0000000
0.5000000 1.0000000 0.5000000 1.0000000 0.5000000 0.5000000
0.5000000 0.5000000 0.0000000 1.0000000 1.0000000 0.0000000
0.5000000 1.0000000 0.5000000 1.0000000 0.5000000 0.5000000
tnons75 0.0000000 0.0000000 0.0000000 0.5000000 0.5000000 0.0000000
0.0000000 0.5000000 0.5000000 0.5000000 0.0000000 0.5000000
-0.0000000 -0.0000000 -0.0000000 0.5000000 0.5000000 -0.0000000
-0.0000000 0.5000000 0.5000000 0.5000000 -0.0000000 0.5000000
0.5000000 0.5000000 0.5000000 1.0000000 1.0000000 0.5000000
0.5000000 1.0000000 1.0000000 1.0000000 0.5000000 1.0000000
0.5000000 0.5000000 0.5000000 1.0000000 1.0000000 0.5000000
0.5000000 1.0000000 1.0000000 1.0000000 0.5000000 1.0000000
toldfe 1.00000000E-06 Hartree
typat1 1 1 1 1 1 1 1 1
typat2 1 1 1 1 1 1 1 1
typat3 1 1 1 1 1 1 1 1
typat4 1 1 1 1 1 1 1 1
typat5 1 1 1 1 1 1 1 1
typat6 1 1 1 1 1 1 1 1
typat7 1 1 1 1 1 1 1 1
typat8 1 1 1 1 1 1 1 1
typat9 1 1 1 1 1 1 1 1
typat10 1 1 1 1 1 1 1 1
typat11 1 1 1 1 1 1 1 1
typat12 1 1 1 1 1 1 1 1
typat13 1 1 1 1 1 1 1 1
typat14 1 1 1 1 1 1 1 1
typat15 1 1 1 1 1 1 1 1
typat16 1 1 1 1 1 1 1 1
typat17 1 1 1 1 1 1 1 1
typat18 1 1 1 1 1 1 1 1
typat19 1 1 1 1 1 1 1 1
typat20 1 1 1 1 1 1 1 1
typat21 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
typat23 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
typat25 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
typat27 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
typat29 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
typat31 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
typat33 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
typat35 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
typat37 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
typat39 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
typat41 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
typat42 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
typat44 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
typat46 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
typat48 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
typat50 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
typat52 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
typat54 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
typat56 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
typat58 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
typat60 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
typat62 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
typat64 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
typat66 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
typat68 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
typat70 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
typat72 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
typat74 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
xangst1 6.2972087822E-01 -1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 1.4816961841E+00 2.9051828752E+00
6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 -1.4816961841E+00 2.9051828752E+00
2.4818411083E+00 -1.4816961841E+00 2.9051828752E+00
1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
2.4818411083E+00 1.4816961841E+00 2.9051828752E+00
1.2223993518E+00 -1.4816961841E+00 2.9051828752E+00
xangst2 6.2972087822E-01 -1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 1.4816961841E+00 2.9051828752E+00
6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 -1.4816961841E+00 2.9051828752E+00
6.2972087822E-01 6.3501265031E-01 2.9051828752E+00
3.0745195819E+00 -6.3501265031E-01 2.9051828752E+00
6.2972087822E-01 -6.3501265031E-01 2.9051828752E+00
3.0745195819E+00 6.3501265031E-01 2.9051828752E+00
xangst3 6.2972087822E-01 -1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 1.4816961841E+00 2.9051828752E+00
6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 -1.4816961841E+00 2.9051828752E+00
2.4818411083E+00 6.3501265031E-01 2.9051828752E+00
1.2223993518E+00 -6.3501265031E-01 2.9051828752E+00
2.4818411083E+00 -6.3501265031E-01 2.9051828752E+00
1.2223993518E+00 6.3501265031E-01 2.9051828752E+00
xangst4 6.2972087822E-01 -1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 1.4816961841E+00 2.9051828752E+00
6.2972087822E-01 -6.3501265031E-01 2.9051828752E+00
3.0745195819E+00 6.3501265031E-01 2.9051828752E+00
2.4818411083E+00 -1.4816961841E+00 2.9051828752E+00
1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
2.4818411083E+00 -6.3501265031E-01 2.9051828752E+00
1.2223993518E+00 6.3501265031E-01 2.9051828752E+00
xangst5 6.2972087822E-01 -1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 1.4816961841E+00 2.9051828752E+00
6.2972087822E-01 -6.3501265031E-01 2.9051828752E+00
3.0745195819E+00 6.3501265031E-01 2.9051828752E+00
6.2972087822E-01 6.3501265031E-01 2.9051828752E+00
3.0745195819E+00 -6.3501265031E-01 2.9051828752E+00
6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 -1.4816961841E+00 2.9051828752E+00
xangst6 6.2972087822E-01 -1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 1.4816961841E+00 2.9051828752E+00
6.2972087822E-01 -6.3501265031E-01 2.9051828752E+00
3.0745195819E+00 6.3501265031E-01 2.9051828752E+00
2.4818411083E+00 6.3501265031E-01 2.9051828752E+00
1.2223993518E+00 -6.3501265031E-01 2.9051828752E+00
2.4818411083E+00 1.4816961841E+00 2.9051828752E+00
1.2223993518E+00 -1.4816961841E+00 2.9051828752E+00
xangst7 6.2972087822E-01 -1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 1.4816961841E+00 2.9051828752E+00
2.4818411083E+00 1.4816961841E+00 2.9051828752E+00
1.2223993518E+00 -1.4816961841E+00 2.9051828752E+00
2.4818411083E+00 -1.4816961841E+00 2.9051828752E+00
1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 -1.4816961841E+00 2.9051828752E+00
xangst8 6.2972087822E-01 -1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 1.4816961841E+00 2.9051828752E+00
2.4818411083E+00 1.4816961841E+00 2.9051828752E+00
1.2223993518E+00 -1.4816961841E+00 2.9051828752E+00
6.2972087822E-01 6.3501265031E-01 2.9051828752E+00
3.0745195819E+00 -6.3501265031E-01 2.9051828752E+00
2.4818411083E+00 -6.3501265031E-01 2.9051828752E+00
1.2223993518E+00 6.3501265031E-01 2.9051828752E+00
xangst9 6.2972087822E-01 -1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 1.4816961841E+00 2.9051828752E+00
2.4818411083E+00 1.4816961841E+00 2.9051828752E+00
1.2223993518E+00 -1.4816961841E+00 2.9051828752E+00
2.4818411083E+00 6.3501265031E-01 2.9051828752E+00
1.2223993518E+00 -6.3501265031E-01 2.9051828752E+00
6.2972087822E-01 -6.3501265031E-01 2.9051828752E+00
3.0745195819E+00 6.3501265031E-01 2.9051828752E+00
xangst10 6.2972087822E-01 -1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 1.4816961841E+00 2.9051828752E+00
2.4818411083E+00 -6.3501265031E-01 2.9051828752E+00
1.2223993518E+00 6.3501265031E-01 2.9051828752E+00
2.4818411083E+00 -1.4816961841E+00 2.9051828752E+00
1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
6.2972087822E-01 -6.3501265031E-01 2.9051828752E+00
3.0745195819E+00 6.3501265031E-01 2.9051828752E+00
xangst11 6.2972087822E-01 -1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 1.4816961841E+00 2.9051828752E+00
2.4818411083E+00 -6.3501265031E-01 2.9051828752E+00
1.2223993518E+00 6.3501265031E-01 2.9051828752E+00
6.2972087822E-01 6.3501265031E-01 2.9051828752E+00
3.0745195819E+00 -6.3501265031E-01 2.9051828752E+00
2.4818411083E+00 1.4816961841E+00 2.9051828752E+00
1.2223993518E+00 -1.4816961841E+00 2.9051828752E+00
xangst12 6.2972087822E-01 -1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 1.4816961841E+00 2.9051828752E+00
2.4818411083E+00 -6.3501265031E-01 2.9051828752E+00
1.2223993518E+00 6.3501265031E-01 2.9051828752E+00
2.4818411083E+00 6.3501265031E-01 2.9051828752E+00
1.2223993518E+00 -6.3501265031E-01 2.9051828752E+00
6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 -1.4816961841E+00 2.9051828752E+00
xangst13 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
1.2223993518E+00 1.4816961841E+00 5.2388543650E-01
2.4818411083E+00 3.5984050184E+00 2.9051828752E+00
3.0745195819E+00 2.7517214847E+00 2.9051828752E+00
2.4818411083E+00 2.7517214847E+00 2.9051828752E+00
1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
2.4818411083E+00 1.4816961841E+00 2.9051828752E+00
1.2223993518E+00 2.7517214847E+00 2.9051828752E+00
xangst14 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
1.2223993518E+00 1.4816961841E+00 5.2388543650E-01
1.5557809933E+00 4.2334176687E-01 1.7145341558E+00
2.9633923681E-01 1.6933670675E+00 1.7145341558E+00
2.4818411083E+00 2.7517214847E+00 2.9051828752E+00
1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
1.5557809933E+00 2.5400506012E+00 1.7145341558E+00
2.1484594669E+00 1.6933670675E+00 1.7145341558E+00
xangst15 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
-1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 6.3501265031E-01 5.2388543650E-01
6.2972087822E-01 6.3501265031E-01 2.9051828752E+00
1.2223993518E+00 1.4816961841E+00 5.2388543650E-01
6.2972087822E-01 -6.3501265031E-01 2.9051828752E+00
1.2223993518E+00 2.7517214847E+00 5.2388543650E-01
xangst16 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
-1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 6.3501265031E-01 5.2388543650E-01
2.4818411083E+00 6.3501265031E-01 5.2388543650E-01
-6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
1.2223993518E+00 6.3501265031E-01 5.2388543650E-01
xangst17 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
6.2972087822E-01 -6.3501265031E-01 2.9051828752E+00
1.2223993518E+00 2.7517214847E+00 5.2388543650E-01
6.2972087822E-01 6.3501265031E-01 2.9051828752E+00
1.2223993518E+00 1.4816961841E+00 5.2388543650E-01
-1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 6.3501265031E-01 5.2388543650E-01
xangst18 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
6.2972087822E-01 -6.3501265031E-01 2.9051828752E+00
1.2223993518E+00 2.7517214847E+00 5.2388543650E-01
2.4818411083E+00 6.3501265031E-01 5.2388543650E-01
-6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
6.2972087822E-01 1.4816961841E+00 5.2388543650E-01
1.2223993518E+00 6.3501265031E-01 2.9051828752E+00
xangst19 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
1.2223993518E+00 6.3501265031E-01 5.2388543650E-01
6.2972087822E-01 6.3501265031E-01 2.9051828752E+00
1.2223993518E+00 1.4816961841E+00 5.2388543650E-01
6.2972087822E-01 1.4816961841E+00 5.2388543650E-01
1.2223993518E+00 6.3501265031E-01 2.9051828752E+00
xangst20 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
1.2223993518E+00 6.3501265031E-01 5.2388543650E-01
2.4818411083E+00 6.3501265031E-01 5.2388543650E-01
-6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
-1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
3.0745195819E+00 6.3501265031E-01 5.2388543650E-01
xangst21 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
1.2223993518E+00 1.4816961841E+00 2.9051828752E+00
6.2972087822E-01 1.4816961841E+00 2.9051828752E+00
1.2223993518E+00 6.3501265031E-01 5.2388543650E-01
6.2972087822E-01 2.7517214847E+00 5.2388543650E-01
1.2223993518E+00 -6.3501265031E-01 2.9051828752E+00
6.2972087822E-01 -6.3501265031E-01 2.9051828752E+00
1.2223993518E+00 2.7517214847E+00 5.2388543650E-01
xangst22 6.2972087822E-01 6.3501265031E-01 5.2388543650E-01
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6.7000000000E-01 1.5000000000E-01 8.9000000000E-01
1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
3.3000000000E-01 1.5000000000E-01 6.1000000000E-01
1.7000000000E-01 6.5000000000E-01 6.1000000000E-01
3.3000000000E-01 3.5000000000E-01 6.1000000000E-01
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6.7000000000E-01 3.5000000000E-01 8.9000000000E-01
8.3000000000E-01 3.5000000000E-01 3.9000000000E-01
6.7000000000E-01 6.5000000000E-01 3.9000000000E-01
1.7000000000E-01 3.5000000000E-01 1.1000000000E-01
3.3000000000E-01 6.5000000000E-01 1.1000000000E-01
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3.3000000000E-01 8.5000000000E-01 1.1000000000E-01
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6.7000000000E-01 8.5000000000E-01 3.9000000000E-01
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
6.7000000000E-01 1.5000000000E-01 8.9000000000E-01
1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
3.3000000000E-01 1.5000000000E-01 6.1000000000E-01
6.7000000000E-01 1.5000000000E-01 6.1000000000E-01
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
3.3000000000E-01 1.5000000000E-01 8.9000000000E-01
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1.7000000000E-01 1.5000000000E-01 3.9000000000E-01
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8.3000000000E-01 1.5000000000E-01 1.1000000000E-01
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3.3000000000E-01 8.5000000000E-01 1.1000000000E-01
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8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
6.7000000000E-01 1.5000000000E-01 8.9000000000E-01
1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
3.3000000000E-01 1.5000000000E-01 6.1000000000E-01
6.7000000000E-01 6.5000000000E-01 1.1000000000E-01
8.3000000000E-01 3.5000000000E-01 1.1000000000E-01
3.3000000000E-01 6.5000000000E-01 3.9000000000E-01
1.7000000000E-01 3.5000000000E-01 3.9000000000E-01
3.3000000000E-01 3.5000000000E-01 8.9000000000E-01
1.7000000000E-01 6.5000000000E-01 8.9000000000E-01
6.7000000000E-01 3.5000000000E-01 6.1000000000E-01
8.3000000000E-01 6.5000000000E-01 6.1000000000E-01
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3.3000000000E-01 8.5000000000E-01 1.1000000000E-01
8.3000000000E-01 1.5000000000E-01 3.9000000000E-01
6.7000000000E-01 8.5000000000E-01 3.9000000000E-01
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
6.7000000000E-01 1.5000000000E-01 8.9000000000E-01
1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
3.3000000000E-01 1.5000000000E-01 6.1000000000E-01
6.7000000000E-01 6.5000000000E-01 6.1000000000E-01
8.3000000000E-01 3.5000000000E-01 6.1000000000E-01
3.3000000000E-01 6.5000000000E-01 8.9000000000E-01
1.7000000000E-01 3.5000000000E-01 8.9000000000E-01
3.3000000000E-01 3.5000000000E-01 3.9000000000E-01
1.7000000000E-01 6.5000000000E-01 3.9000000000E-01
6.7000000000E-01 3.5000000000E-01 1.1000000000E-01
8.3000000000E-01 6.5000000000E-01 1.1000000000E-01
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8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
3.3000000000E-01 6.5000000000E-01 8.9000000000E-01
6.7000000000E-01 3.5000000000E-01 8.9000000000E-01
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
1.7000000000E-01 1.5000000000E-01 8.9000000000E-01
6.7000000000E-01 3.5000000000E-01 1.1000000000E-01
3.3000000000E-01 6.5000000000E-01 1.1000000000E-01
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3.3000000000E-01 8.5000000000E-01 1.1000000000E-01
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3.3000000000E-01 8.5000000000E-01 8.9000000000E-01
6.7000000000E-01 1.5000000000E-01 8.9000000000E-01
1.7000000000E-01 3.5000000000E-01 1.1000000000E-01
8.3000000000E-01 6.5000000000E-01 1.1000000000E-01
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8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
3.3000000000E-01 6.5000000000E-01 8.9000000000E-01
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1.7000000000E-01 1.5000000000E-01 8.9000000000E-01
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3.3000000000E-01 6.5000000000E-01 1.1000000000E-01
1.7000000000E-01 1.5000000000E-01 6.1000000000E-01
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
3.3000000000E-01 6.5000000000E-01 3.9000000000E-01
6.7000000000E-01 3.5000000000E-01 3.9000000000E-01
8.3000000000E-01 8.5000000000E-01 3.9000000000E-01
1.7000000000E-01 1.5000000000E-01 3.9000000000E-01
6.7000000000E-01 3.5000000000E-01 6.1000000000E-01
3.3000000000E-01 6.5000000000E-01 6.1000000000E-01
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8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
3.3000000000E-01 6.5000000000E-01 8.9000000000E-01
6.7000000000E-01 3.5000000000E-01 8.9000000000E-01
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
1.7000000000E-01 1.5000000000E-01 8.9000000000E-01
6.7000000000E-01 3.5000000000E-01 1.1000000000E-01
3.3000000000E-01 6.5000000000E-01 1.1000000000E-01
1.7000000000E-01 6.5000000000E-01 6.1000000000E-01
8.3000000000E-01 3.5000000000E-01 6.1000000000E-01
3.3000000000E-01 1.5000000000E-01 3.9000000000E-01
6.7000000000E-01 8.5000000000E-01 3.9000000000E-01
8.3000000000E-01 3.5000000000E-01 3.9000000000E-01
1.7000000000E-01 6.5000000000E-01 3.9000000000E-01
6.7000000000E-01 8.5000000000E-01 6.1000000000E-01
3.3000000000E-01 1.5000000000E-01 6.1000000000E-01
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8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
3.3000000000E-01 6.5000000000E-01 8.9000000000E-01
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1.7000000000E-01 1.5000000000E-01 8.9000000000E-01
6.7000000000E-01 3.5000000000E-01 1.1000000000E-01
3.3000000000E-01 6.5000000000E-01 1.1000000000E-01
6.7000000000E-01 6.5000000000E-01 1.1000000000E-01
3.3000000000E-01 3.5000000000E-01 1.1000000000E-01
8.3000000000E-01 1.5000000000E-01 8.9000000000E-01
1.7000000000E-01 8.5000000000E-01 8.9000000000E-01
3.3000000000E-01 3.5000000000E-01 8.9000000000E-01
6.7000000000E-01 6.5000000000E-01 8.9000000000E-01
1.7000000000E-01 8.5000000000E-01 1.1000000000E-01
8.3000000000E-01 1.5000000000E-01 1.1000000000E-01
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8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
3.3000000000E-01 6.5000000000E-01 8.9000000000E-01
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1.7000000000E-01 1.5000000000E-01 8.9000000000E-01
6.7000000000E-01 3.5000000000E-01 1.1000000000E-01
3.3000000000E-01 6.5000000000E-01 1.1000000000E-01
6.7000000000E-01 6.5000000000E-01 6.1000000000E-01
3.3000000000E-01 3.5000000000E-01 6.1000000000E-01
8.3000000000E-01 1.5000000000E-01 3.9000000000E-01
1.7000000000E-01 8.5000000000E-01 3.9000000000E-01
3.3000000000E-01 3.5000000000E-01 3.9000000000E-01
6.7000000000E-01 6.5000000000E-01 3.9000000000E-01
1.7000000000E-01 8.5000000000E-01 6.1000000000E-01
8.3000000000E-01 1.5000000000E-01 6.1000000000E-01
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3.3000000000E-01 3.5000000000E-01 1.1000000000E-01
8.3000000000E-01 6.5000000000E-01 3.9000000000E-01
6.7000000000E-01 8.5000000000E-01 3.9000000000E-01
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
6.7000000000E-01 6.5000000000E-01 8.9000000000E-01
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
3.3000000000E-01 1.5000000000E-01 6.1000000000E-01
6.7000000000E-01 1.5000000000E-01 1.1000000000E-01
8.3000000000E-01 3.5000000000E-01 1.1000000000E-01
3.3000000000E-01 6.5000000000E-01 3.9000000000E-01
1.7000000000E-01 8.5000000000E-01 3.9000000000E-01
3.3000000000E-01 8.5000000000E-01 8.9000000000E-01
1.7000000000E-01 6.5000000000E-01 8.9000000000E-01
6.7000000000E-01 3.5000000000E-01 6.1000000000E-01
8.3000000000E-01 1.5000000000E-01 6.1000000000E-01
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3.3000000000E-01 3.5000000000E-01 1.1000000000E-01
8.3000000000E-01 6.5000000000E-01 3.9000000000E-01
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8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
6.7000000000E-01 6.5000000000E-01 8.9000000000E-01
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
3.3000000000E-01 1.5000000000E-01 6.1000000000E-01
1.7000000000E-01 1.5000000000E-01 6.1000000000E-01
3.3000000000E-01 3.5000000000E-01 6.1000000000E-01
8.3000000000E-01 6.5000000000E-01 8.9000000000E-01
6.7000000000E-01 8.5000000000E-01 8.9000000000E-01
8.3000000000E-01 8.5000000000E-01 3.9000000000E-01
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1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
3.3000000000E-01 1.5000000000E-01 6.1000000000E-01
1.7000000000E-01 6.5000000000E-01 6.1000000000E-01
3.3000000000E-01 8.5000000000E-01 6.1000000000E-01
8.3000000000E-01 1.5000000000E-01 8.9000000000E-01
6.7000000000E-01 3.5000000000E-01 8.9000000000E-01
8.3000000000E-01 3.5000000000E-01 3.9000000000E-01
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3.3000000000E-01 3.5000000000E-01 1.1000000000E-01
8.3000000000E-01 6.5000000000E-01 3.9000000000E-01
6.7000000000E-01 8.5000000000E-01 3.9000000000E-01
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6.7000000000E-01 6.5000000000E-01 8.9000000000E-01
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
3.3000000000E-01 1.5000000000E-01 6.1000000000E-01
6.7000000000E-01 6.5000000000E-01 1.1000000000E-01
8.3000000000E-01 8.5000000000E-01 1.1000000000E-01
3.3000000000E-01 1.5000000000E-01 3.9000000000E-01
1.7000000000E-01 3.5000000000E-01 3.9000000000E-01
3.3000000000E-01 3.5000000000E-01 8.9000000000E-01
1.7000000000E-01 1.5000000000E-01 8.9000000000E-01
6.7000000000E-01 8.5000000000E-01 6.1000000000E-01
8.3000000000E-01 6.5000000000E-01 6.1000000000E-01
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3.3000000000E-01 3.5000000000E-01 1.1000000000E-01
8.3000000000E-01 6.5000000000E-01 3.9000000000E-01
6.7000000000E-01 8.5000000000E-01 3.9000000000E-01
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01
6.7000000000E-01 6.5000000000E-01 8.9000000000E-01
1.7000000000E-01 3.5000000000E-01 6.1000000000E-01
3.3000000000E-01 1.5000000000E-01 6.1000000000E-01
6.7000000000E-01 6.5000000000E-01 6.1000000000E-01
8.3000000000E-01 8.5000000000E-01 6.1000000000E-01
3.3000000000E-01 1.5000000000E-01 8.9000000000E-01
1.7000000000E-01 3.5000000000E-01 8.9000000000E-01
3.3000000000E-01 3.5000000000E-01 3.9000000000E-01
1.7000000000E-01 1.5000000000E-01 3.9000000000E-01
6.7000000000E-01 8.5000000000E-01 1.1000000000E-01
8.3000000000E-01 6.5000000000E-01 1.1000000000E-01
znucl 1.00000
================================================================================
chkinp: Checking input parameters for consistency, jdtset= 1.
chkinp: Checking input parameters for consistency, jdtset= 2.
chkinp: Checking input parameters for consistency, jdtset= 3.
chkinp: Checking input parameters for consistency, jdtset= 4.
chkinp: Checking input parameters for consistency, jdtset= 5.
chkinp: Checking input parameters for consistency, jdtset= 6.
chkinp: Checking input parameters for consistency, jdtset= 7.
chkinp: Checking input parameters for consistency, jdtset= 8.
chkinp: Checking input parameters for consistency, jdtset= 9.
chkinp: Checking input parameters for consistency, jdtset= 10.
chkinp: Checking input parameters for consistency, jdtset= 11.
chkinp: Checking input parameters for consistency, jdtset= 12.
chkinp: Checking input parameters for consistency, jdtset= 13.
chkinp: Checking input parameters for consistency, jdtset= 14.
chkinp: Checking input parameters for consistency, jdtset= 15.
chkinp: Checking input parameters for consistency, jdtset= 16.
chkinp: Checking input parameters for consistency, jdtset= 17.
chkinp: Checking input parameters for consistency, jdtset= 18.
chkinp: Checking input parameters for consistency, jdtset= 19.
chkinp: Checking input parameters for consistency, jdtset= 20.
chkinp: Checking input parameters for consistency, jdtset= 21.
chkinp: Checking input parameters for consistency, jdtset= 22.
chkinp: Checking input parameters for consistency, jdtset= 23.
chkinp: Checking input parameters for consistency, jdtset= 24.
chkinp: Checking input parameters for consistency, jdtset= 25.
chkinp: Checking input parameters for consistency, jdtset= 26.
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.
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= 10.9 wall= 10.9
================================================================================
Calculation completed.
.Delivered 0 WARNINGs and 77 COMMENTs to log file.
+Overall time at end (sec) : cpu= 10.9 wall= 10.9