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.Version 10.1.4.5 of ANADDB, released Sep 2024.
.(MPI version, prepared for a x86_64_linux_gnu13.2 computer)
.Copyright (C) 1998-2025 ABINIT group .
ANADDB comes with ABSOLUTELY NO WARRANTY.
It is free software, and you are welcome to redistribute it
under certain conditions (GNU General Public License,
see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).
ABINIT is a project of the Universite Catholique de Louvain,
Corning Inc. and other collaborators, see ~abinit/doc/developers/contributors.txt .
Please read https://docs.abinit.org/theory/acknowledgments for suggested
acknowledgments of the ABINIT effort.
For more information, see https://www.abinit.org .
.Starting date : Fri 13 Sep 2024.
- ( at 19h08 )
================================================================================
-outvars_anaddb: echo values of input variables ----------------------
Flags :
dieflag 2
ifcflag 1
Miscellaneous information :
asr 1
chneut 2
symdynmat 0
Interatomic Force Constants Inputs :
dipdip 1
dipqua 1
quadqu 1
ifcana 0
ifcout 20
natifc 3
atifc 1 2 3
Description of grid 1 :
brav 2
ngqpt 1 1 1
nqshft 2
q1shft
0.00000000E+00 0.00000000E+00 0.00000000E+00
5.00000000E-01 5.00000000E-01 5.00000000E-01
First list of wavevector (reduced coord.) :
nph1l 5
qph1l
0.00000000E+00 0.00000000E+00 0.00000000E+00 1.000E+00
0.00000000E+00 5.00000000E-01 5.00000000E-01 1.000E+00
5.00000000E-01 0.00000000E+00 5.00000000E-01 1.000E+00
5.00000000E-01 5.00000000E-01 0.00000000E+00 1.000E+00
5.00000000E-01 5.00000000E-01 5.00000000E-01 1.000E+00
================================================================================
read the DDB information and perform some checks
==== Info on the Cryst% object ====
Real(R)+Recip(G) space primitive vectors, cartesian coordinates (Bohr,Bohr^-1):
R(1)= 0.0000000 7.4715500 7.4715500 G(1)= -0.0669205 0.0669205 0.0669205
R(2)= 7.4715500 0.0000000 7.4715500 G(2)= 0.0669205 -0.0669205 0.0669205
R(3)= 7.4715500 7.4715500 0.0000000 G(3)= 0.0669205 0.0669205 -0.0669205
Unit cell volume ucvol= 8.3418450E+02 bohr^3
Angles (23,13,12)= 6.00000000E+01 6.00000000E+01 6.00000000E+01 degrees
Time-reversal symmetry is present
Reduced atomic positions [iatom, xred, symbol]:
1) 0.0000000 0.0000000 0.0000000 no
2) -0.5000000 0.5000000 0.5000000 no
3) 0.2500000 0.2500000 0.2500000 no
4) -0.2500000 0.7500000 0.7500000 no
5) 0.0000000 0.5000000 0.0000000 no
6) 0.0000000 0.0000000 0.5000000 no
7) 0.5000000 0.0000000 0.0000000 no
8) 0.0000000 0.5000000 0.5000000 no
9) -0.5000000 0.5000000 1.0000000 no
10) -0.5000000 1.0000000 0.5000000 no
DDB file with 4 blocks has been read.
================================================================================
Dielectric Tensor and Effective Charges
anaddb : Zero the imaginary part of the Dynamical Matrix at Gamma,
and impose the ASR on the effective charges
The violation of the charge neutrality conditions
by the effective charges is as follows :
atom electric field
displacement direction
1 1 0.023243 0.000000
1 2 -0.000000 0.000000
1 3 -0.000000 0.000000
2 1 0.000000 0.000000
2 2 0.023243 0.000000
2 3 0.000000 0.000000
3 1 -0.000000 0.000000
3 2 0.000000 0.000000
3 3 0.023243 0.000000
Effective charge tensors after
imposition of the charge neutrality (if requested by user),
and eventual restriction to some part :
atom displacement
1 1 2.713835E+00 -6.937185E-16 -2.132370E-16
1 2 -2.061443E-16 2.713835E+00 1.321180E-16
1 3 2.872168E-16 5.712799E-16 2.713835E+00
2 1 2.581095E+00 2.946495E-16 -2.093692E-15
2 2 2.551282E-15 2.581095E+00 1.961929E-15
2 3 -2.468733E-15 -4.193187E-16 2.581095E+00
3 1 7.289459E+00 2.263354E-15 2.090244E-15
3 2 2.280041E-16 7.289459E+00 -2.159176E-15
3 3 -1.755904E-16 -2.342511E-15 7.289459E+00
4 1 7.289459E+00 -6.210494E-16 1.607600E-16
4 2 -4.359528E-16 7.289459E+00 -2.218500E-16
4 3 4.883665E-16 5.418922E-16 7.289459E+00
5 1 -2.089058E+00 1.121047E-16 -7.762008E-02
5 2 1.226716E-15 -5.758807E+00 1.101813E-15
5 3 -7.762008E-02 -2.685911E-16 -2.089058E+00
6 1 -2.089058E+00 -7.762008E-02 -2.265385E-16
6 2 -7.762008E-02 -2.089058E+00 1.193827E-16
6 3 2.962054E-17 1.456907E-16 -5.758807E+00
7 1 -5.758807E+00 1.675901E-15 1.846854E-15
7 2 -4.627193E-16 -2.089058E+00 -7.762008E-02
7 3 5.663364E-16 -7.762008E-02 -2.089058E+00
8 1 -5.758807E+00 -1.632751E-16 8.342179E-16
8 2 -1.413717E-15 -2.089058E+00 7.762008E-02
8 3 1.517334E-15 7.762008E-02 -2.089058E+00
9 1 -2.089058E+00 7.762008E-02 -1.208212E-15
9 2 7.762008E-02 -2.089058E+00 1.165343E-15
9 3 5.771754E-16 1.581424E-15 -5.758807E+00
10 1 -2.089058E+00 -8.388931E-16 7.762008E-02
10 2 -1.997808E-16 -5.758807E+00 9.246209E-17
10 3 7.762008E-02 6.824066E-16 -2.089058E+00
Now, the imaginary part of the dynamical matrix is zeroed
================================================================================
Calculation of the interatomic forces
-begin at tcpu 0.037 and twall 0.127 sec
Homogeneous q point set in the B.Z.
Grid q points : 1
1) 0.00000000E+00 0.00000000E+00 0.00000000E+00
The interatomic forces have been obtained
Analysis of interatomic force constants
Are given : column(1-3), the total force constant
then column(4-6), the Ewald part
then column(7-9), the short-range part
Column 1, 4 and 7 are related to the displacement
of the generic atom along x,
column 2, 5 and 8 are related to the displacement
of the generic atom along y,
column 3, 6 and 9 are related to the displacement
of the generic atom along z.
generic atom number 1
with cartesian coordinates 0.00000000E+00 0.00000000E+00 0.00000000E+00
1 interaction with atom 1 cell 13
with coordinates 0.000000E+00 0.000000E+00 0.000000E+00
and distance 0.000000E+00
0.08915 0.00000 0.00000 0.02943 0.00000 0.00000 0.05972 0.00000 0.00000
0.00000 0.08915 0.00000 0.00000 0.02943 0.00000 0.00000 0.05972 0.00000
0.00000 0.00000 0.08915 0.00000 0.00000 0.02943 0.00000 0.00000 0.05972
2 interaction with atom 6 cell 1
with coordinates -3.735775E+00 -3.735775E+00 0.000000E+00
and distance 5.283184E+00
-0.00389 0.00063 0.00000 0.00327 0.00893 0.00000 -0.00716 -0.00830 0.00000
0.00063 -0.00389 0.00000 0.00893 0.00327 0.00000 -0.00830 -0.00716 0.00000
0.00000 0.00000 -0.01320 0.00000 0.00000 -0.01621 0.00000 0.00000 0.00301
3 interaction with atom 5 cell 2
with coordinates -3.735775E+00 0.000000E+00 -3.735775E+00
and distance 5.283184E+00
-0.00389 0.00000 0.00063 0.00327 0.00000 0.00893 -0.00716 0.00000 -0.00830
0.00000 -0.01320 0.00000 0.00000 -0.01621 0.00000 0.00000 0.00301 0.00000
0.00063 0.00000 -0.00389 0.00893 0.00000 0.00327 -0.00830 0.00000 -0.00716
4 interaction with atom 7 cell 6
with coordinates 0.000000E+00 -3.735775E+00 -3.735775E+00
and distance 5.283184E+00
-0.01320 0.00000 0.00000 -0.01621 0.00000 0.00000 0.00301 0.00000 0.00000
0.00000 -0.00389 0.00063 0.00000 0.00327 0.00893 0.00000 -0.00716 -0.00830
0.00000 0.00063 -0.00389 0.00000 0.00893 0.00327 0.00000 -0.00830 -0.00716
5 interaction with atom 9 cell 9
with coordinates 3.735775E+00 -3.735775E+00 0.000000E+00
and distance 5.283184E+00
-0.00389 -0.00063 0.00000 0.00327 -0.00893 0.00000 -0.00716 0.00830 0.00000
-0.00063 -0.00389 0.00000 -0.00893 0.00327 0.00000 0.00830 -0.00716 0.00000
0.00000 0.00000 -0.01320 0.00000 0.00000 -0.01621 0.00000 0.00000 0.00301
6 interaction with atom 8 cell 11
with coordinates 0.000000E+00 3.735775E+00 -3.735775E+00
and distance 5.283184E+00
-0.01320 0.00000 0.00000 -0.01621 0.00000 0.00000 0.00301 0.00000 0.00000
0.00000 -0.00389 -0.00063 0.00000 0.00327 -0.00893 0.00000 -0.00716 0.00830
0.00000 -0.00063 -0.00389 0.00000 -0.00893 0.00327 0.00000 0.00830 -0.00716
7 interaction with atom 10 cell 12
with coordinates 3.735775E+00 0.000000E+00 -3.735775E+00
and distance 5.283184E+00
-0.00389 0.00000 -0.00063 0.00327 0.00000 -0.00893 -0.00716 0.00000 0.00830
0.00000 -0.01320 0.00000 0.00000 -0.01621 0.00000 0.00000 0.00301 0.00000
-0.00063 0.00000 -0.00389 -0.00893 0.00000 0.00327 0.00830 0.00000 -0.00716
8 interaction with atom 5 cell 13
with coordinates 3.735775E+00 0.000000E+00 3.735775E+00
and distance 5.283184E+00
-0.00389 0.00000 0.00063 0.00327 0.00000 0.00893 -0.00716 0.00000 -0.00830
0.00000 -0.01320 0.00000 0.00000 -0.01621 0.00000 0.00000 0.00301 0.00000
0.00063 0.00000 -0.00389 0.00893 0.00000 0.00327 -0.00830 0.00000 -0.00716
9 interaction with atom 6 cell 13
with coordinates 3.735775E+00 3.735775E+00 0.000000E+00
and distance 5.283184E+00
-0.00389 0.00063 0.00000 0.00327 0.00893 0.00000 -0.00716 -0.00830 0.00000
0.00063 -0.00389 0.00000 0.00893 0.00327 0.00000 -0.00830 -0.00716 0.00000
0.00000 0.00000 -0.01320 0.00000 0.00000 -0.01621 0.00000 0.00000 0.00301
10 interaction with atom 7 cell 13
with coordinates 0.000000E+00 3.735775E+00 3.735775E+00
and distance 5.283184E+00
-0.01320 0.00000 0.00000 -0.01621 0.00000 0.00000 0.00301 0.00000 0.00000
0.00000 -0.00389 0.00063 0.00000 0.00327 0.00893 0.00000 -0.00716 -0.00830
0.00000 0.00063 -0.00389 0.00000 0.00893 0.00327 0.00000 -0.00830 -0.00716
11 interaction with atom 8 cell 13
with coordinates 0.000000E+00 -3.735775E+00 3.735775E+00
and distance 5.283184E+00
-0.01320 0.00000 0.00000 -0.01621 0.00000 0.00000 0.00301 0.00000 0.00000
0.00000 -0.00389 -0.00063 0.00000 0.00327 -0.00893 0.00000 -0.00716 0.00830
0.00000 -0.00063 -0.00389 0.00000 -0.00893 0.00327 0.00000 0.00830 -0.00716
12 interaction with atom 9 cell 13
with coordinates -3.735775E+00 3.735775E+00 0.000000E+00
and distance 5.283184E+00
-0.00389 -0.00063 0.00000 0.00327 -0.00893 0.00000 -0.00716 0.00830 0.00000
-0.00063 -0.00389 0.00000 -0.00893 0.00327 0.00000 0.00830 -0.00716 0.00000
0.00000 0.00000 -0.01320 0.00000 0.00000 -0.01621 0.00000 0.00000 0.00301
13 interaction with atom 10 cell 13
with coordinates -3.735775E+00 0.000000E+00 3.735775E+00
and distance 5.283184E+00
-0.00389 0.00000 -0.00063 0.00327 0.00000 -0.00893 -0.00716 0.00000 0.00830
0.00000 -0.01320 0.00000 0.00000 -0.01621 0.00000 0.00000 0.00301 0.00000
-0.00063 0.00000 -0.00389 -0.00893 0.00000 0.00327 0.00830 0.00000 -0.00716
14 interaction with atom 3 cell 1
with coordinates -3.735775E+00 -3.735775E+00 3.735775E+00
and distance 6.470552E+00
-0.00099 -0.01117 0.01117 0.00000 -0.01117 0.01117 -0.00099 0.00000 0.00000
-0.01117 -0.00099 0.01117 -0.01117 0.00000 0.01117 0.00000 -0.00099 0.00000
0.01117 0.01117 -0.00099 0.01117 0.01117 0.00000 0.00000 0.00000 -0.00099
15 interaction with atom 3 cell 2
with coordinates -3.735775E+00 3.735775E+00 -3.735775E+00
and distance 6.470552E+00
-0.00099 0.01117 -0.01117 0.00000 0.01117 -0.01117 -0.00099 0.00000 0.00000
0.01117 -0.00099 0.01117 0.01117 0.00000 0.01117 0.00000 -0.00099 0.00000
-0.01117 0.01117 -0.00099 -0.01117 0.01117 0.00000 0.00000 0.00000 -0.00099
16 interaction with atom 3 cell 6
with coordinates 3.735775E+00 -3.735775E+00 -3.735775E+00
and distance 6.470552E+00
-0.00099 0.01117 0.01117 0.00000 0.01117 0.01117 -0.00099 0.00000 0.00000
0.01117 -0.00099 -0.01117 0.01117 0.00000 -0.01117 0.00000 -0.00099 0.00000
0.01117 -0.01117 -0.00099 0.01117 -0.01117 0.00000 0.00000 0.00000 -0.00099
17 interaction with atom 4 cell 6
with coordinates -3.735775E+00 -3.735775E+00 -3.735775E+00
and distance 6.470552E+00
-0.00099 -0.01117 -0.01117 0.00000 -0.01117 -0.01117 -0.00099 0.00000 0.00000
-0.01117 -0.00099 -0.01117 -0.01117 0.00000 -0.01117 0.00000 -0.00099 0.00000
-0.01117 -0.01117 -0.00099 -0.01117 -0.01117 0.00000 0.00000 0.00000 -0.00099
18 interaction with atom 4 cell 9
with coordinates 3.735775E+00 -3.735775E+00 3.735775E+00
and distance 6.470552E+00
-0.00099 0.01117 -0.01117 0.00000 0.01117 -0.01117 -0.00099 0.00000 0.00000
0.01117 -0.00099 0.01117 0.01117 0.00000 0.01117 0.00000 -0.00099 0.00000
-0.01117 0.01117 -0.00099 -0.01117 0.01117 0.00000 0.00000 0.00000 -0.00099
19 interaction with atom 4 cell 12
with coordinates 3.735775E+00 3.735775E+00 -3.735775E+00
and distance 6.470552E+00
-0.00099 -0.01117 0.01117 0.00000 -0.01117 0.01117 -0.00099 0.00000 0.00000
-0.01117 -0.00099 0.01117 -0.01117 0.00000 0.01117 0.00000 -0.00099 0.00000
0.01117 0.01117 -0.00099 0.01117 0.01117 0.00000 0.00000 0.00000 -0.00099
20 interaction with atom 3 cell 13
with coordinates 3.735775E+00 3.735775E+00 3.735775E+00
and distance 6.470552E+00
-0.00099 -0.01117 -0.01117 0.00000 -0.01117 -0.01117 -0.00099 0.00000 0.00000
-0.01117 -0.00099 -0.01117 -0.01117 0.00000 -0.01117 0.00000 -0.00099 0.00000
-0.01117 -0.01117 -0.00099 -0.01117 -0.01117 0.00000 0.00000 0.00000 -0.00099
generic atom number 2
with cartesian coordinates 0.00000000E+00 0.00000000E+00 7.47155000E+00
1 interaction with atom 2 cell 13
with coordinates 0.000000E+00 0.000000E+00 7.471550E+00
and distance 0.000000E+00
0.03857 0.00000 0.00000 0.03224 0.00000 0.00000 0.00633 0.00000 0.00000
0.00000 0.03857 0.00000 0.00000 0.03224 0.00000 0.00000 0.00633 0.00000
0.00000 0.00000 0.03857 0.00000 0.00000 0.03224 0.00000 0.00000 0.00633
2 interaction with atom 5 cell 4
with coordinates -3.735775E+00 0.000000E+00 1.120733E+01
and distance 5.283184E+00
0.00077 0.00000 -0.00557 0.00249 0.00000 -0.00829 -0.00172 0.00000 0.00272
0.00000 -0.01238 0.00000 0.00000 -0.01542 0.00000 0.00000 0.00304 0.00000
-0.00557 0.00000 0.00077 -0.00829 0.00000 0.00249 0.00272 0.00000 -0.00172
3 interaction with atom 6 cell 4
with coordinates -3.735775E+00 3.735775E+00 7.471550E+00
and distance 5.283184E+00
0.00077 -0.00557 0.00000 0.00249 -0.00829 0.00000 -0.00172 0.00272 0.00000
-0.00557 0.00077 0.00000 -0.00829 0.00249 0.00000 0.00272 -0.00172 0.00000
0.00000 0.00000 -0.01238 0.00000 0.00000 -0.01542 0.00000 0.00000 0.00304
4 interaction with atom 6 cell 8
with coordinates 3.735775E+00 -3.735775E+00 7.471550E+00
and distance 5.283184E+00
0.00077 -0.00557 0.00000 0.00249 -0.00829 0.00000 -0.00172 0.00272 0.00000
-0.00557 0.00077 0.00000 -0.00829 0.00249 0.00000 0.00272 -0.00172 0.00000
0.00000 0.00000 -0.01238 0.00000 0.00000 -0.01542 0.00000 0.00000 0.00304
5 interaction with atom 7 cell 8
with coordinates 0.000000E+00 -3.735775E+00 1.120733E+01
and distance 5.283184E+00
-0.01238 0.00000 0.00000 -0.01542 0.00000 0.00000 0.00304 0.00000 0.00000
0.00000 0.00077 -0.00557 0.00000 0.00249 -0.00829 0.00000 -0.00172 0.00272
0.00000 -0.00557 0.00077 0.00000 -0.00829 0.00249 0.00000 0.00272 -0.00172
6 interaction with atom 9 cell 8
with coordinates -3.735775E+00 -3.735775E+00 7.471550E+00
and distance 5.283184E+00
0.00077 0.00557 0.00000 0.00249 0.00829 0.00000 -0.00172 -0.00272 0.00000
0.00557 0.00077 0.00000 0.00829 0.00249 0.00000 -0.00272 -0.00172 0.00000
0.00000 0.00000 -0.01238 0.00000 0.00000 -0.01542 0.00000 0.00000 0.00304
7 interaction with atom 5 cell 13
with coordinates 3.735775E+00 0.000000E+00 3.735775E+00
and distance 5.283184E+00
0.00077 0.00000 -0.00557 0.00249 0.00000 -0.00829 -0.00172 0.00000 0.00272
0.00000 -0.01238 0.00000 0.00000 -0.01542 0.00000 0.00000 0.00304 0.00000
-0.00557 0.00000 0.00077 -0.00829 0.00000 0.00249 0.00272 0.00000 -0.00172
8 interaction with atom 7 cell 13
with coordinates 0.000000E+00 3.735775E+00 3.735775E+00
and distance 5.283184E+00
-0.01238 0.00000 0.00000 -0.01542 0.00000 0.00000 0.00304 0.00000 0.00000
0.00000 0.00077 -0.00557 0.00000 0.00249 -0.00829 0.00000 -0.00172 0.00272
0.00000 -0.00557 0.00077 0.00000 -0.00829 0.00249 0.00000 0.00272 -0.00172
9 interaction with atom 8 cell 13
with coordinates 0.000000E+00 -3.735775E+00 3.735775E+00
and distance 5.283184E+00
-0.01238 0.00000 0.00000 -0.01542 0.00000 0.00000 0.00304 0.00000 0.00000
0.00000 0.00077 0.00557 0.00000 0.00249 0.00829 0.00000 -0.00172 -0.00272
0.00000 0.00557 0.00077 0.00000 0.00829 0.00249 0.00000 -0.00272 -0.00172
10 interaction with atom 10 cell 13
with coordinates -3.735775E+00 0.000000E+00 3.735775E+00
and distance 5.283184E+00
0.00077 0.00000 0.00557 0.00249 0.00000 0.00829 -0.00172 0.00000 -0.00272
0.00000 -0.01238 0.00000 0.00000 -0.01542 0.00000 0.00000 0.00304 0.00000
0.00557 0.00000 0.00077 0.00829 0.00000 0.00249 -0.00272 0.00000 -0.00172
11 interaction with atom 8 cell 14
with coordinates 0.000000E+00 3.735775E+00 1.120733E+01
and distance 5.283184E+00
-0.01238 0.00000 0.00000 -0.01542 0.00000 0.00000 0.00304 0.00000 0.00000
0.00000 0.00077 0.00557 0.00000 0.00249 0.00829 0.00000 -0.00172 -0.00272
0.00000 0.00557 0.00077 0.00000 0.00829 0.00249 0.00000 -0.00272 -0.00172
12 interaction with atom 9 cell 15
with coordinates 3.735775E+00 3.735775E+00 7.471550E+00
and distance 5.283184E+00
0.00077 0.00557 0.00000 0.00249 0.00829 0.00000 -0.00172 -0.00272 0.00000
0.00557 0.00077 0.00000 0.00829 0.00249 0.00000 -0.00272 -0.00172 0.00000
0.00000 0.00000 -0.01238 0.00000 0.00000 -0.01542 0.00000 0.00000 0.00304
13 interaction with atom 10 cell 15
with coordinates 3.735775E+00 0.000000E+00 1.120733E+01
and distance 5.283184E+00
0.00077 0.00000 0.00557 0.00249 0.00000 0.00829 -0.00172 0.00000 -0.00272
0.00000 -0.01238 0.00000 0.00000 -0.01542 0.00000 0.00000 0.00304 0.00000
0.00557 0.00000 0.00077 0.00829 0.00000 0.00249 -0.00272 0.00000 -0.00172
14 interaction with atom 3 cell 1
with coordinates -3.735775E+00 -3.735775E+00 3.735775E+00
and distance 6.470552E+00
0.00022 -0.01062 -0.01062 0.00000 -0.01062 -0.01062 0.00022 0.00000 0.00000
-0.01062 0.00022 -0.01062 -0.01062 0.00000 -0.01062 0.00000 0.00022 0.00000
-0.01062 -0.01062 0.00022 -0.01062 -0.01062 0.00000 0.00000 0.00000 0.00022
15 interaction with atom 3 cell 4
with coordinates -3.735775E+00 3.735775E+00 1.120733E+01
and distance 6.470552E+00
0.00022 0.01062 0.01062 0.00000 0.01062 0.01062 0.00022 0.00000 0.00000
0.01062 0.00022 -0.01062 0.01062 0.00000 -0.01062 0.00000 0.00022 0.00000
0.01062 -0.01062 0.00022 0.01062 -0.01062 0.00000 0.00000 0.00000 0.00022
16 interaction with atom 3 cell 8
with coordinates 3.735775E+00 -3.735775E+00 1.120733E+01
and distance 6.470552E+00
0.00022 0.01062 -0.01062 0.00000 0.01062 -0.01062 0.00022 0.00000 0.00000
0.01062 0.00022 0.01062 0.01062 0.00000 0.01062 0.00000 0.00022 0.00000
-0.01062 0.01062 0.00022 -0.01062 0.01062 0.00000 0.00000 0.00000 0.00022
17 interaction with atom 4 cell 8
with coordinates -3.735775E+00 -3.735775E+00 1.120733E+01
and distance 6.470552E+00
0.00022 -0.01062 0.01062 0.00000 -0.01062 0.01062 0.00022 0.00000 0.00000
-0.01062 0.00022 0.01062 -0.01062 0.00000 0.01062 0.00000 0.00022 0.00000
0.01062 0.01062 0.00022 0.01062 0.01062 0.00000 0.00000 0.00000 0.00022
18 interaction with atom 4 cell 9
with coordinates 3.735775E+00 -3.735775E+00 3.735775E+00
and distance 6.470552E+00
0.00022 0.01062 0.01062 0.00000 0.01062 0.01062 0.00022 0.00000 0.00000
0.01062 0.00022 -0.01062 0.01062 0.00000 -0.01062 0.00000 0.00022 0.00000
0.01062 -0.01062 0.00022 0.01062 -0.01062 0.00000 0.00000 0.00000 0.00022
19 interaction with atom 3 cell 13
with coordinates 3.735775E+00 3.735775E+00 3.735775E+00
and distance 6.470552E+00
0.00022 -0.01062 0.01062 0.00000 -0.01062 0.01062 0.00022 0.00000 0.00000
-0.01062 0.00022 0.01062 -0.01062 0.00000 0.01062 0.00000 0.00022 0.00000
0.01062 0.01062 0.00022 0.01062 0.01062 0.00000 0.00000 0.00000 0.00022
20 interaction with atom 4 cell 13
with coordinates -3.735775E+00 3.735775E+00 3.735775E+00
and distance 6.470552E+00
0.00022 0.01062 -0.01062 0.00000 0.01062 -0.01062 0.00022 0.00000 0.00000
0.01062 0.00022 0.01062 0.01062 0.00000 0.01062 0.00000 0.00022 0.00000
-0.01062 0.01062 0.00022 -0.01062 0.01062 0.00000 0.00000 0.00000 0.00022
generic atom number 3
with cartesian coordinates 3.73577500E+00 3.73577500E+00 3.73577500E+00
1 interaction with atom 3 cell 13
with coordinates 3.735775E+00 3.735775E+00 3.735775E+00
and distance 0.000000E+00
0.19263 0.00000 0.00000 -0.29516 0.00000 0.00000 0.48778 0.00000 0.00000
0.00000 0.19263 0.00000 0.00000 -0.29516 0.00000 0.00000 0.48778 0.00000
0.00000 0.00000 0.19263 0.00000 0.00000 -0.29516 0.00000 0.00000 0.48778
2 interaction with atom 5 cell 13
with coordinates 3.735775E+00 0.000000E+00 3.735775E+00
and distance 3.735775E+00
-0.01689 0.00000 -0.00070 -0.04468 0.00000 -0.00166 0.02779 0.00000 0.00096
0.00000 0.00016 0.00000 0.00000 0.24636 0.00000 0.00000 -0.24619 0.00000
-0.00070 0.00000 -0.01689 -0.00166 0.00000 -0.04468 0.00096 0.00000 0.02779
3 interaction with atom 6 cell 13
with coordinates 3.735775E+00 3.735775E+00 0.000000E+00
and distance 3.735775E+00
-0.01689 -0.00070 0.00000 -0.04468 -0.00166 0.00000 0.02779 0.00096 0.00000
-0.00070 -0.01689 0.00000 -0.00166 -0.04468 0.00000 0.00096 0.02779 0.00000
0.00000 0.00000 0.00016 0.00000 0.00000 0.24636 0.00000 0.00000 -0.24619
4 interaction with atom 7 cell 13
with coordinates 0.000000E+00 3.735775E+00 3.735775E+00
and distance 3.735775E+00
0.00016 0.00000 0.00000 0.24636 0.00000 0.00000 -0.24619 0.00000 0.00000
0.00000 -0.01689 -0.00070 0.00000 -0.04468 -0.00166 0.00000 0.02779 0.00096
0.00000 -0.00070 -0.01689 0.00000 -0.00166 -0.04468 0.00000 0.00096 0.02779
5 interaction with atom 9 cell 15
with coordinates 3.735775E+00 3.735775E+00 7.471550E+00
and distance 3.735775E+00
-0.01689 0.00070 0.00000 -0.04468 0.00166 0.00000 0.02779 -0.00096 0.00000
0.00070 -0.01689 0.00000 0.00166 -0.04468 0.00000 -0.00096 0.02779 0.00000
0.00000 0.00000 0.00016 0.00000 0.00000 0.24636 0.00000 0.00000 -0.24619
6 interaction with atom 8 cell 16
with coordinates 7.471550E+00 3.735775E+00 3.735775E+00
and distance 3.735775E+00
0.00016 0.00000 0.00000 0.24636 0.00000 0.00000 -0.24619 0.00000 0.00000
0.00000 -0.01689 0.00070 0.00000 -0.04468 0.00166 0.00000 0.02779 -0.00096
0.00000 0.00070 -0.01689 0.00000 0.00166 -0.04468 0.00000 -0.00096 0.02779
7 interaction with atom 10 cell 16
with coordinates 3.735775E+00 7.471550E+00 3.735775E+00
and distance 3.735775E+00
-0.01689 0.00000 0.00070 -0.04468 0.00000 0.00166 0.02779 0.00000 -0.00096
0.00000 0.00016 0.00000 0.00000 0.24636 0.00000 0.00000 -0.24619 0.00000
0.00070 0.00000 -0.01689 0.00166 0.00000 -0.04468 -0.00096 0.00000 0.02779
8 interaction with atom 2 cell 11
with coordinates 0.000000E+00 7.471550E+00 0.000000E+00
and distance 6.470552E+00
0.00022 0.01062 -0.01062 0.00000 0.01062 -0.01062 0.00022 0.00000 0.00000
0.01062 0.00022 0.01062 0.01062 0.00000 0.01062 0.00000 0.00022 0.00000
-0.01062 0.01062 0.00022 -0.01062 0.01062 0.00000 0.00000 0.00000 0.00022
9 interaction with atom 2 cell 12
with coordinates 7.471550E+00 0.000000E+00 0.000000E+00
and distance 6.470552E+00
0.00022 0.01062 0.01062 0.00000 0.01062 0.01062 0.00022 0.00000 0.00000
0.01062 0.00022 -0.01062 0.01062 0.00000 -0.01062 0.00000 0.00022 0.00000
0.01062 -0.01062 0.00022 0.01062 -0.01062 0.00000 0.00000 0.00000 0.00022
10 interaction with atom 1 cell 13
with coordinates 0.000000E+00 0.000000E+00 0.000000E+00
and distance 6.470552E+00
-0.00099 -0.01117 -0.01117 0.00000 -0.01117 -0.01117 -0.00099 0.00000 0.00000
-0.01117 -0.00099 -0.01117 -0.01117 0.00000 -0.01117 0.00000 -0.00099 0.00000
-0.01117 -0.01117 -0.00099 -0.01117 -0.01117 0.00000 0.00000 0.00000 -0.00099
11 interaction with atom 2 cell 13
with coordinates 0.000000E+00 0.000000E+00 7.471550E+00
and distance 6.470552E+00
0.00022 -0.01062 0.01062 0.00000 -0.01062 0.01062 0.00022 0.00000 0.00000
-0.01062 0.00022 0.01062 -0.01062 0.00000 0.01062 0.00000 0.00022 0.00000
0.01062 0.01062 0.00022 0.01062 0.01062 0.00000 0.00000 0.00000 0.00022
12 interaction with atom 1 cell 14
with coordinates 0.000000E+00 7.471550E+00 7.471550E+00
and distance 6.470552E+00
-0.00099 0.01117 0.01117 0.00000 0.01117 0.01117 -0.00099 0.00000 0.00000
0.01117 -0.00099 -0.01117 0.01117 0.00000 -0.01117 0.00000 -0.00099 0.00000
0.01117 -0.01117 -0.00099 0.01117 -0.01117 0.00000 0.00000 0.00000 -0.00099
13 interaction with atom 1 cell 15
with coordinates 7.471550E+00 0.000000E+00 7.471550E+00
and distance 6.470552E+00
-0.00099 0.01117 -0.01117 0.00000 0.01117 -0.01117 -0.00099 0.00000 0.00000
0.01117 -0.00099 0.01117 0.01117 0.00000 0.01117 0.00000 -0.00099 0.00000
-0.01117 0.01117 -0.00099 -0.01117 0.01117 0.00000 0.00000 0.00000 -0.00099
14 interaction with atom 1 cell 16
with coordinates 7.471550E+00 7.471550E+00 0.000000E+00
and distance 6.470552E+00
-0.00099 -0.01117 0.01117 0.00000 -0.01117 0.01117 -0.00099 0.00000 0.00000
-0.01117 -0.00099 0.01117 -0.01117 0.00000 0.01117 0.00000 -0.00099 0.00000
0.01117 0.01117 -0.00099 0.01117 0.01117 0.00000 0.00000 0.00000 -0.00099
15 interaction with atom 2 cell 16
with coordinates 7.471550E+00 7.471550E+00 7.471550E+00
and distance 6.470552E+00
0.00022 -0.01062 -0.01062 0.00000 -0.01062 -0.01062 0.00022 0.00000 0.00000
-0.01062 0.00022 -0.01062 -0.01062 0.00000 -0.01062 0.00000 0.00022 0.00000
-0.01062 -0.01062 0.00022 -0.01062 -0.01062 0.00000 0.00000 0.00000 0.00022
16 interaction with atom 4 cell 9
with coordinates 3.735775E+00 -3.735775E+00 3.735775E+00
and distance 7.471550E+00
0.00224 0.00000 0.00000 0.01949 0.00000 0.00000 -0.01725 0.00000 0.00000
0.00000 -0.05623 0.00000 0.00000 -0.03898 0.00000 0.00000 -0.01725 0.00000
0.00000 0.00000 0.00224 0.00000 0.00000 0.01949 0.00000 0.00000 -0.01725
17 interaction with atom 4 cell 12
with coordinates 3.735775E+00 3.735775E+00 -3.735775E+00
and distance 7.471550E+00
0.00224 0.00000 0.00000 0.01949 0.00000 0.00000 -0.01725 0.00000 0.00000
0.00000 0.00224 0.00000 0.00000 0.01949 0.00000 0.00000 -0.01725 0.00000
0.00000 0.00000 -0.05623 0.00000 0.00000 -0.03898 0.00000 0.00000 -0.01725
18 interaction with atom 4 cell 13
with coordinates -3.735775E+00 3.735775E+00 3.735775E+00
and distance 7.471550E+00
-0.05623 0.00000 0.00000 -0.03898 0.00000 0.00000 -0.01725 0.00000 0.00000
0.00000 0.00224 0.00000 0.00000 0.01949 0.00000 0.00000 -0.01725 0.00000
0.00000 0.00000 0.00224 0.00000 0.00000 0.01949 0.00000 0.00000 -0.01725
19 interaction with atom 4 cell 15
with coordinates 3.735775E+00 3.735775E+00 1.120733E+01
and distance 7.471550E+00
0.00224 0.00000 0.00000 0.01949 0.00000 0.00000 -0.01725 0.00000 0.00000
0.00000 0.00224 0.00000 0.00000 0.01949 0.00000 0.00000 -0.01725 0.00000
0.00000 0.00000 -0.05623 0.00000 0.00000 -0.03898 0.00000 0.00000 -0.01725
20 interaction with atom 4 cell 16
with coordinates 3.735775E+00 1.120733E+01 3.735775E+00
and distance 7.471550E+00
0.00224 0.00000 0.00000 0.01949 0.00000 0.00000 -0.01725 0.00000 0.00000
0.00000 -0.05623 0.00000 0.00000 -0.03898 0.00000 0.00000 -0.01725 0.00000
0.00000 0.00000 0.00224 0.00000 0.00000 0.01949 0.00000 0.00000 -0.01725
================================================================================
Treat the first list of vectors
Phonon wavevector (reduced coordinates) : 0.00000 0.00000 0.00000
Phonon energies in Hartree :
-6.867858E-04 -6.867858E-04 -6.867858E-04 0.000000E+00 0.000000E+00
0.000000E+00 3.900305E-04 3.900305E-04 3.900305E-04 5.072275E-04
5.072275E-04 5.072275E-04 7.341416E-04 7.341416E-04 7.341416E-04
1.237518E-03 1.237518E-03 1.237518E-03 1.751141E-03 1.751141E-03
1.841546E-03 1.841546E-03 1.841546E-03 1.902979E-03 1.902979E-03
1.902979E-03 2.186923E-03 2.186923E-03 2.186923E-03 3.478412E-03
Phonon frequencies in cm-1 :
- -1.507321E+02 -1.507321E+02 -1.507321E+02 0.000000E+00 0.000000E+00
- 0.000000E+00 8.560180E+01 8.560180E+01 8.560180E+01 1.113236E+02
- 1.113236E+02 1.113236E+02 1.611255E+02 1.611255E+02 1.611255E+02
- 2.716037E+02 2.716037E+02 2.716037E+02 3.843310E+02 3.843310E+02
- 4.041726E+02 4.041726E+02 4.041726E+02 4.176556E+02 4.176556E+02
- 4.176556E+02 4.799741E+02 4.799741E+02 4.799741E+02 7.634232E+02
Analysis of degeneracies and characters (maximum tolerance=1.00E-06 a.u.)
For each vibration mode, or group of modes if degenerate,
the characters are given for each symmetry operation (see the list in the log file).
Symmetry characters of vibration mode # 1
degenerate with vibration modes # 2 to 3
3.0 -1.0 -1.0 -1.0 0.0 -0.0 0.0 -0.0 0.0 -0.0 -0.0 0.0 -1.0 1.0 1.0 -1.0
-1.0 -1.0 1.0 1.0 -1.0 1.0 -1.0 1.0 -3.0 1.0 1.0 1.0 -0.0 0.0 -0.0 0.0
-0.0 0.0 0.0 -0.0 1.0 -1.0 -1.0 1.0 1.0 1.0 -1.0 -1.0 1.0 -1.0 1.0 -1.0
Symmetry characters of vibration mode # 4
degenerate with vibration modes # 5 to 6
3.0 -1.0 -1.0 -1.0 0.0 -0.0 -0.0 0.0 0.0 0.0 -0.0 -0.0 -1.0 1.0 1.0 -1.0
-1.0 -1.0 1.0 1.0 -1.0 1.0 -1.0 1.0 -3.0 1.0 1.0 1.0 -0.0 0.0 0.0 -0.0
-0.0 -0.0 0.0 0.0 1.0 -1.0 -1.0 1.0 1.0 1.0 -1.0 -1.0 1.0 -1.0 1.0 -1.0
Symmetry characters of vibration mode # 7
degenerate with vibration modes # 8 to 9
3.0 -1.0 -1.0 -1.0 -0.0 -0.0 0.0 0.0 -0.0 0.0 -0.0 0.0 1.0 -1.0 -1.0 1.0
1.0 1.0 -1.0 -1.0 1.0 -1.0 1.0 -1.0 -3.0 1.0 1.0 1.0 0.0 0.0 -0.0 -0.0
0.0 -0.0 0.0 -0.0 -1.0 1.0 1.0 -1.0 -1.0 -1.0 1.0 1.0 -1.0 1.0 -1.0 1.0
Symmetry characters of vibration mode # 10
degenerate with vibration modes # 11 to 12
3.0 -1.0 -1.0 -1.0 0.0 -0.0 0.0 -0.0 0.0 -0.0 -0.0 0.0 -1.0 1.0 1.0 -1.0
-1.0 -1.0 1.0 1.0 -1.0 1.0 -1.0 1.0 -3.0 1.0 1.0 1.0 -0.0 0.0 -0.0 0.0
-0.0 0.0 0.0 -0.0 1.0 -1.0 -1.0 1.0 1.0 1.0 -1.0 -1.0 1.0 -1.0 1.0 -1.0
Symmetry characters of vibration mode # 13
degenerate with vibration modes # 14 to 15
3.0 -1.0 -1.0 -1.0 0.0 -0.0 -0.0 0.0 0.0 -0.0 -0.0 -0.0 -1.0 1.0 1.0 -1.0
-1.0 -1.0 1.0 1.0 -1.0 1.0 -1.0 1.0 -3.0 1.0 1.0 1.0 -0.0 0.0 0.0 -0.0
-0.0 0.0 0.0 0.0 1.0 -1.0 -1.0 1.0 1.0 1.0 -1.0 -1.0 1.0 -1.0 1.0 -1.0
Symmetry characters of vibration mode # 16
degenerate with vibration modes # 17 to 18
3.0 -1.0 -1.0 -1.0 0.0 -0.0 0.0 -0.0 -0.0 -0.0 -0.0 0.0 1.0 -1.0 -1.0 1.0
1.0 1.0 -1.0 -1.0 1.0 -1.0 1.0 -1.0 -3.0 1.0 1.0 1.0 -0.0 0.0 -0.0 0.0
0.0 0.0 0.0 -0.0 -1.0 1.0 1.0 -1.0 -1.0 -1.0 1.0 1.0 -1.0 1.0 -1.0 1.0
Symmetry characters of vibration mode # 19
degenerate with vibration mode # 20
2.0 2.0 2.0 2.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.0 0.0 0.0 0.0
-0.0 -0.0 -0.0 -0.0 0.0 0.0 0.0 0.0 -2.0 -2.0 -2.0 -2.0 1.0 1.0 1.0 1.0
1.0 1.0 1.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0
Symmetry characters of vibration mode # 21
degenerate with vibration modes # 22 to 23
3.0 -1.0 -1.0 -1.0 0.0 -0.0 0.0 -0.0 0.0 -0.0 -0.0 0.0 1.0 -1.0 -1.0 1.0
1.0 1.0 -1.0 -1.0 1.0 -1.0 1.0 -1.0 3.0 -1.0 -1.0 -1.0 0.0 -0.0 0.0 -0.0
0.0 -0.0 -0.0 0.0 1.0 -1.0 -1.0 1.0 1.0 1.0 -1.0 -1.0 1.0 -1.0 1.0 -1.0
Symmetry characters of vibration mode # 24
degenerate with vibration modes # 25 to 26
3.0 -1.0 -1.0 -1.0 0.0 -0.0 -0.0 0.0 0.0 -0.0 -0.0 -0.0 -1.0 1.0 1.0 -1.0
-1.0 -1.0 1.0 1.0 -1.0 1.0 -1.0 1.0 -3.0 1.0 1.0 1.0 -0.0 0.0 0.0 -0.0
-0.0 0.0 0.0 0.0 1.0 -1.0 -1.0 1.0 1.0 1.0 -1.0 -1.0 1.0 -1.0 1.0 -1.0
Symmetry characters of vibration mode # 27
degenerate with vibration modes # 28 to 29
3.0 -1.0 -1.0 -1.0 0.0 0.0 -0.0 -0.0 0.0 -0.0 0.0 -0.0 -1.0 1.0 1.0 -1.0
-1.0 -1.0 1.0 1.0 -1.0 1.0 -1.0 1.0 -3.0 1.0 1.0 1.0 -0.0 -0.0 0.0 0.0
-0.0 0.0 -0.0 0.0 1.0 -1.0 -1.0 1.0 1.0 1.0 -1.0 -1.0 1.0 -1.0 1.0 -1.0
Symmetry characters of vibration mode # 30
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 -1.0 -1.0 -1.0 -1.0
-1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0
-1.0 -1.0 -1.0 -1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Phonon wavevector (reduced coordinates) : 0.00000 0.50000 0.50000
Phonon energies in Hartree :
3.769171E-04 3.797173E-04 3.797173E-04 4.472504E-04 5.385209E-04
5.385209E-04 5.396540E-04 5.396540E-04 5.785275E-04 8.998668E-04
8.998668E-04 1.159164E-03 1.163303E-03 1.163303E-03 1.229027E-03
1.294479E-03 1.311257E-03 1.311257E-03 1.410804E-03 1.410804E-03
1.591161E-03 1.827596E-03 1.917874E-03 1.917874E-03 1.955275E-03
2.019759E-03 2.019759E-03 2.407385E-03 3.017112E-03 3.274408E-03
Phonon frequencies in cm-1 :
- 8.272373E+01 8.333831E+01 8.333831E+01 9.816012E+01 1.181917E+02
- 1.181917E+02 1.184404E+02 1.184404E+02 1.269721E+02 1.974979E+02
- 1.974979E+02 2.544070E+02 2.553156E+02 2.553156E+02 2.697402E+02
- 2.841053E+02 2.877876E+02 2.877876E+02 3.096357E+02 3.096357E+02
- 3.492194E+02 4.011109E+02 4.209247E+02 4.209247E+02 4.291332E+02
- 4.432860E+02 4.432860E+02 5.283600E+02 6.621795E+02 7.186495E+02
Phonon wavevector (reduced coordinates) : 0.50000 0.00000 0.50000
Phonon energies in Hartree :
3.769171E-04 3.797173E-04 3.797173E-04 4.472504E-04 5.385209E-04
5.385209E-04 5.396540E-04 5.396540E-04 5.785275E-04 8.998668E-04
8.998668E-04 1.159164E-03 1.163303E-03 1.163303E-03 1.229027E-03
1.294479E-03 1.311257E-03 1.311257E-03 1.410804E-03 1.410804E-03
1.591161E-03 1.827596E-03 1.917874E-03 1.917874E-03 1.955275E-03
2.019759E-03 2.019759E-03 2.407385E-03 3.017112E-03 3.274408E-03
Phonon frequencies in cm-1 :
- 8.272373E+01 8.333831E+01 8.333831E+01 9.816012E+01 1.181917E+02
- 1.181917E+02 1.184404E+02 1.184404E+02 1.269721E+02 1.974979E+02
- 1.974979E+02 2.544070E+02 2.553156E+02 2.553156E+02 2.697402E+02
- 2.841053E+02 2.877876E+02 2.877876E+02 3.096357E+02 3.096357E+02
- 3.492194E+02 4.011109E+02 4.209247E+02 4.209247E+02 4.291332E+02
- 4.432860E+02 4.432860E+02 5.283600E+02 6.621795E+02 7.186495E+02
Phonon wavevector (reduced coordinates) : 0.50000 0.50000 0.00000
Phonon energies in Hartree :
3.769171E-04 3.797173E-04 3.797173E-04 4.472504E-04 5.385209E-04
5.385209E-04 5.396540E-04 5.396540E-04 5.785275E-04 8.998668E-04
8.998668E-04 1.159164E-03 1.163303E-03 1.163303E-03 1.229027E-03
1.294479E-03 1.311257E-03 1.311257E-03 1.410804E-03 1.410804E-03
1.591161E-03 1.827596E-03 1.917874E-03 1.917874E-03 1.955275E-03
2.019759E-03 2.019759E-03 2.407385E-03 3.017112E-03 3.274408E-03
Phonon frequencies in cm-1 :
- 8.272373E+01 8.333831E+01 8.333831E+01 9.816012E+01 1.181917E+02
- 1.181917E+02 1.184404E+02 1.184404E+02 1.269721E+02 1.974979E+02
- 1.974979E+02 2.544070E+02 2.553156E+02 2.553156E+02 2.697402E+02
- 2.841053E+02 2.877876E+02 2.877876E+02 3.096357E+02 3.096357E+02
- 3.492194E+02 4.011109E+02 4.209247E+02 4.209247E+02 4.291332E+02
- 4.432860E+02 4.432860E+02 5.283600E+02 6.621795E+02 7.186495E+02
Phonon wavevector (reduced coordinates) : 0.50000 0.50000 0.50000
Phonon energies in Hartree :
3.668081E-04 3.668081E-04 4.039158E-04 4.919655E-04 4.919655E-04
5.511878E-04 6.270241E-04 6.270241E-04 6.274150E-04 7.872053E-04
7.872053E-04 1.134006E-03 1.254688E-03 1.254688E-03 1.259598E-03
1.259598E-03 1.261427E-03 1.327971E-03 1.480975E-03 1.480975E-03
1.486600E-03 1.486600E-03 1.999077E-03 1.999077E-03 2.022868E-03
2.022868E-03 2.042115E-03 2.150121E-03 3.225503E-03 3.232885E-03
Phonon frequencies in cm-1 :
- 8.050506E+01 8.050506E+01 8.864928E+01 1.079739E+02 1.079739E+02
- 1.209717E+02 1.376159E+02 1.376159E+02 1.377017E+02 1.727716E+02
- 1.727716E+02 2.488854E+02 2.753723E+02 2.753723E+02 2.764498E+02
- 2.764498E+02 2.768513E+02 2.914559E+02 3.250365E+02 3.250365E+02
- 3.262711E+02 3.262711E+02 4.387467E+02 4.387467E+02 4.439683E+02
- 4.439683E+02 4.481924E+02 4.718971E+02 7.079162E+02 7.095362E+02
-
- Proc. 0 individual time (sec): cpu= 0.2 wall= 0.3
================================================================================
+Total cpu time 0.179 and wall time 0.312 sec
anaddb : the run completed succesfully.
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