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.Version 9.8.1 of MRGDV
.(MPI version, prepared for a x86_64_linux_gnu9.3 computer)
.Copyright (C) 1998-2025 ABINIT group .
MRGDV 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 21 Dec 2022.
- ( at 21h07 )
->> Enter name of output file:
->> Enter total number of DFPT POT files:
->> Enter name of POT file 1 :
->> Enter name of POT file 2 :
->> Enter name of POT file 3 :
->> Enter name of POT file 4 :
->> Enter name of POT file 5 :
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->> Enter name of POT file 21 :
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->> Enter name of POT file 45 :
->> Enter name of POT file 46 :
->> Enter name of POT file 47 :
->> Enter name of POT file 48 :
->> Enter name of POT file 49 :
->> Enter name of POT file 50 :
->> Enter name of POT file 51 :
->> Enter name of POT file 52 :
->> Enter name of POT file 53 :
->> Enter name of POT file 54 :
->> Enter name of POT file 55 :
->> Enter name of POT file 56 :
->> Enter name of POT file 57 :
->> Enter name of POT file 58 :
->> Enter name of POT file 59 :
->> Enter name of POT file 60 :
- Reading header of file [1]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t0/outdata/out_POT1.nc
- Merging file [1]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t0/outdata/out_POT1.nc
- Reading header of file [2]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t1/outdata/out_POT3.nc
- Merging file [2]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t1/outdata/out_POT3.nc
- Reading header of file [3]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t2/outdata/out_POT4.nc
- Merging file [3]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t2/outdata/out_POT4.nc
- Reading header of file [4]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t3/outdata/out_POT6.nc
- Merging file [4]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t3/outdata/out_POT6.nc
- Reading header of file [5]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t4/outdata/out_POT1.nc
- Merging file [5]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t4/outdata/out_POT1.nc
- Reading header of file [6]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t5/outdata/out_POT2.nc
- Merging file [6]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t5/outdata/out_POT2.nc
- Reading header of file [7]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t6/outdata/out_POT3.nc
- Merging file [7]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t6/outdata/out_POT3.nc
- Reading header of file [8]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t7/outdata/out_POT4.nc
- Merging file [8]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t7/outdata/out_POT4.nc
- Reading header of file [9]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t8/outdata/out_POT5.nc
- Merging file [9]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t8/outdata/out_POT5.nc
- Reading header of file [10]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t9/outdata/out_POT6.nc
- Merging file [10]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t9/outdata/out_POT6.nc
- Reading header of file [11]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t10/outdata/out_POT1.nc
- Merging file [11]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t10/outdata/out_POT1.nc
- Reading header of file [12]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t11/outdata/out_POT2.nc
- Merging file [12]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t11/outdata/out_POT2.nc
- Reading header of file [13]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t12/outdata/out_POT3.nc
- Merging file [13]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t12/outdata/out_POT3.nc
- Reading header of file [14]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t13/outdata/out_POT4.nc
- Merging file [14]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t13/outdata/out_POT4.nc
- Reading header of file [15]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t14/outdata/out_POT5.nc
- Merging file [15]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t14/outdata/out_POT5.nc
- Reading header of file [16]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t15/outdata/out_POT6.nc
- Merging file [16]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t15/outdata/out_POT6.nc
- Reading header of file [17]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t16/outdata/out_POT1.nc
- Merging file [17]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t16/outdata/out_POT1.nc
- Reading header of file [18]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t17/outdata/out_POT3.nc
- Merging file [18]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t17/outdata/out_POT3.nc
- Reading header of file [19]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t18/outdata/out_POT4.nc
- Merging file [19]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t18/outdata/out_POT4.nc
- Reading header of file [20]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t19/outdata/out_POT6.nc
- Merging file [20]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t19/outdata/out_POT6.nc
- Reading header of file [21]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t20/outdata/out_POT1.nc
- Merging file [21]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t20/outdata/out_POT1.nc
- Reading header of file [22]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t21/outdata/out_POT3.nc
- Merging file [22]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t21/outdata/out_POT3.nc
- Reading header of file [23]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t22/outdata/out_POT4.nc
- Merging file [23]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t22/outdata/out_POT4.nc
- Reading header of file [24]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t23/outdata/out_POT6.nc
- Merging file [24]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t23/outdata/out_POT6.nc
- Reading header of file [25]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t24/outdata/out_POT1.nc
- Merging file [25]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t24/outdata/out_POT1.nc
- Reading header of file [26]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t25/outdata/out_POT2.nc
- Merging file [26]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t25/outdata/out_POT2.nc
- Reading header of file [27]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t26/outdata/out_POT3.nc
- Merging file [27]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t26/outdata/out_POT3.nc
- Reading header of file [28]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t27/outdata/out_POT4.nc
- Merging file [28]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t27/outdata/out_POT4.nc
- Reading header of file [29]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t28/outdata/out_POT5.nc
- Merging file [29]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t28/outdata/out_POT5.nc
- Reading header of file [30]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t29/outdata/out_POT6.nc
- Merging file [30]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t29/outdata/out_POT6.nc
- Reading header of file [31]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t30/outdata/out_POT1.nc
- Merging file [31]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t30/outdata/out_POT1.nc
- Reading header of file [32]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t31/outdata/out_POT2.nc
- Merging file [32]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t31/outdata/out_POT2.nc
- Reading header of file [33]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t32/outdata/out_POT3.nc
- Merging file [33]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t32/outdata/out_POT3.nc
- Reading header of file [34]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t33/outdata/out_POT4.nc
- Merging file [34]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t33/outdata/out_POT4.nc
- Reading header of file [35]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t34/outdata/out_POT5.nc
- Merging file [35]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t34/outdata/out_POT5.nc
- Reading header of file [36]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t35/outdata/out_POT6.nc
- Merging file [36]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t35/outdata/out_POT6.nc
- Reading header of file [37]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t36/outdata/out_POT1.nc
- Merging file [37]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t36/outdata/out_POT1.nc
- Reading header of file [38]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t37/outdata/out_POT3.nc
- Merging file [38]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t37/outdata/out_POT3.nc
- Reading header of file [39]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t38/outdata/out_POT4.nc
- Merging file [39]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t38/outdata/out_POT4.nc
- Reading header of file [40]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t39/outdata/out_POT6.nc
- Merging file [40]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t39/outdata/out_POT6.nc
- Reading header of file [41]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t40/outdata/out_POT1.nc
- Merging file [41]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t40/outdata/out_POT1.nc
- Reading header of file [42]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t41/outdata/out_POT3.nc
- Merging file [42]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t41/outdata/out_POT3.nc
- Reading header of file [43]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t42/outdata/out_POT4.nc
- Merging file [43]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t42/outdata/out_POT4.nc
- Reading header of file [44]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t43/outdata/out_POT6.nc
- Merging file [44]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t43/outdata/out_POT6.nc
- Reading header of file [45]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t44/outdata/out_POT1.nc
- Merging file [45]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t44/outdata/out_POT1.nc
- Reading header of file [46]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t45/outdata/out_POT2.nc
- Merging file [46]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t45/outdata/out_POT2.nc
- Reading header of file [47]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t46/outdata/out_POT3.nc
- Merging file [47]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t46/outdata/out_POT3.nc
- Reading header of file [48]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t47/outdata/out_POT4.nc
- Merging file [48]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t47/outdata/out_POT4.nc
- Reading header of file [49]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t48/outdata/out_POT5.nc
- Merging file [49]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t48/outdata/out_POT5.nc
- Reading header of file [50]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t49/outdata/out_POT6.nc
- Merging file [50]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t49/outdata/out_POT6.nc
- Reading header of file [51]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t50/outdata/out_POT1.nc
- Merging file [51]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t50/outdata/out_POT1.nc
- Reading header of file [52]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t51/outdata/out_POT2.nc
- Merging file [52]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t51/outdata/out_POT2.nc
- Reading header of file [53]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t52/outdata/out_POT3.nc
- Merging file [53]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t52/outdata/out_POT3.nc
- Reading header of file [54]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t53/outdata/out_POT4.nc
- Merging file [54]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t53/outdata/out_POT4.nc
- Reading header of file [55]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t54/outdata/out_POT5.nc
- Merging file [55]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t54/outdata/out_POT5.nc
- Reading header of file [56]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t55/outdata/out_POT6.nc
- Merging file [56]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t55/outdata/out_POT6.nc
- Reading header of file [57]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t56/outdata/out_POT1.nc
- Merging file [57]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t56/outdata/out_POT1.nc
- Reading header of file [58]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t57/outdata/out_POT3.nc
- Merging file [58]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t57/outdata/out_POT3.nc
- Reading header of file [59]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t58/outdata/out_POT4.nc
- Merging file [59]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t58/outdata/out_POT4.nc
- Reading header of file [60]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t59/outdata/out_POT6.nc
- Merging file [60]: MgB2_eph4isotc/flow_mgb2_phonons/w1/t59/outdata/out_POT6.nc
Merged successfully 60 files
- Analyzing DVDB file: teph4isotc_1_DVDB ...
- dvdb_new completed. cpu: 0.01 [s] , wall: 0.01 [s] <<< TIME
==== Info on the dvdb% object ====
DVDB version: 2
File path: teph4isotc_1_DVDB
Number of v1scf potentials: 60
Number of q-points in DVDB: 12
-P Number of CPUs for parallelism over perturbations: 1
-P Number of perturbations treated by this CPU: 9
Option for symmetrization of v1scf(r): 0
List of q-points: min(10, nqpt)
[ 1 ] [ 0.0000E+00, 0.0000E+00, 0.0000E+00]
[ 2 ] [ 2.5000E-01, 0.0000E+00, 0.0000E+00]
[ 3 ] [ 5.0000E-01, 0.0000E+00, 0.0000E+00]
[ 4 ] [ 2.5000E-01, 2.5000E-01, 0.0000E+00]
[ 5 ] [ 0.0000E+00, 0.0000E+00, 2.5000E-01]
[ 6 ] [ 2.5000E-01, 0.0000E+00, 2.5000E-01]
[ 7 ] [ 5.0000E-01, 0.0000E+00, 2.5000E-01]
[ 8 ] [ 2.5000E-01, 2.5000E-01, 2.5000E-01]
[ 9 ] [ 0.0000E+00, 0.0000E+00, 5.0000E-01]
[ 10 ] [ 2.5000E-01, 0.0000E+00, 5.0000E-01]
...
Have dielectric tensor: no
Have Born effective charges: no
Have quadrupoles: no
Have electric field: no
Treatment of long-range part in V1scf (add_lr): 1
Damping factor for Gaussian filter (qdamp): 0.1
qpoint: [ 0.0000E+00, 0.0000E+00, 0.0000E+00] is present in the DVDB file
The list of irreducible perturbations for this q vector is:
1) idir= 1, ipert= 1, type=independent, found=Yes
2) idir= 2, ipert= 1, type=symmetric, found=No
3) idir= 3, ipert= 1, type=independent, found=Yes
4) idir= 1, ipert= 2, type=independent, found=Yes
5) idir= 2, ipert= 2, type=symmetric, found=No
6) idir= 3, ipert= 2, type=independent, found=Yes
7) idir= 1, ipert= 3, type=symmetric, found=No
8) idir= 2, ipert= 3, type=symmetric, found=No
9) idir= 3, ipert= 3, type=symmetric, found=No
qpoint: [ 2.5000E-01, 0.0000E+00, 0.0000E+00] is present in the DVDB file
The list of irreducible perturbations for this q vector is:
1) idir= 1, ipert= 1, type=independent, found=Yes
2) idir= 2, ipert= 1, type=independent, found=Yes
3) idir= 3, ipert= 1, type=independent, found=Yes
4) idir= 1, ipert= 2, type=independent, found=Yes
5) idir= 2, ipert= 2, type=independent, found=Yes
6) idir= 3, ipert= 2, type=independent, found=Yes
7) idir= 1, ipert= 3, type=symmetric, found=No
8) idir= 2, ipert= 3, type=symmetric, found=No
9) idir= 3, ipert= 3, type=symmetric, found=No
qpoint: [ 5.0000E-01, 0.0000E+00, 0.0000E+00] is present in the DVDB file
The list of irreducible perturbations for this q vector is:
1) idir= 1, ipert= 1, type=independent, found=Yes
2) idir= 2, ipert= 1, type=independent, found=Yes
3) idir= 3, ipert= 1, type=independent, found=Yes
4) idir= 1, ipert= 2, type=independent, found=Yes
5) idir= 2, ipert= 2, type=independent, found=Yes
6) idir= 3, ipert= 2, type=independent, found=Yes
7) idir= 1, ipert= 3, type=symmetric, found=No
8) idir= 2, ipert= 3, type=symmetric, found=No
9) idir= 3, ipert= 3, type=symmetric, found=No
qpoint: [ 2.5000E-01, 2.5000E-01, 0.0000E+00] is present in the DVDB file
The list of irreducible perturbations for this q vector is:
1) idir= 1, ipert= 1, type=independent, found=Yes
2) idir= 2, ipert= 1, type=symmetric, found=No
3) idir= 3, ipert= 1, type=independent, found=Yes
4) idir= 1, ipert= 2, type=independent, found=Yes
5) idir= 2, ipert= 2, type=symmetric, found=No
6) idir= 3, ipert= 2, type=independent, found=Yes
7) idir= 1, ipert= 3, type=symmetric, found=No
8) idir= 2, ipert= 3, type=symmetric, found=No
9) idir= 3, ipert= 3, type=symmetric, found=No
More than 20 q-points with prtvol == 0. Only important messages will be printed...
qpoint: [ 0.0000E+00, 0.0000E+00, 2.5000E-01] is present in the DVDB file
The list of irreducible perturbations for this q vector is:
1) idir= 1, ipert= 1, type=independent, found=Yes
2) idir= 2, ipert= 1, type=symmetric, found=No
3) idir= 3, ipert= 1, type=independent, found=Yes
4) idir= 1, ipert= 2, type=independent, found=Yes
5) idir= 2, ipert= 2, type=symmetric, found=No
6) idir= 3, ipert= 2, type=independent, found=Yes
7) idir= 1, ipert= 3, type=symmetric, found=No
8) idir= 2, ipert= 3, type=symmetric, found=No
9) idir= 3, ipert= 3, type=symmetric, found=No
All the independent perturbations are available
Done
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