scnc
/
abinit
mirror of https://github.com/abinit/abinit.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
abinit/tests/gwpt/Refs/t02.stdout

180 lines
9.4 KiB
Plaintext
Raw Permalink Blame History

.Version 10.1.2.2 of MRGDV, released Apr 2024.
.(MPI version, prepared for a aarch64_darwin22.6.0_gnu12.2 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 : Tue 14 May 2024.
- ( at 16h49 )
->> 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 :
->> Enter name of POT file 6 :
->> Enter name of POT file 7 :
->> Enter name of POT file 8 :
->> Enter name of POT file 9 :
->> Enter name of POT file 10 :
->> Enter name of POT file 11 :
->> Enter name of POT file 12 :
->> Enter name of POT file 13 :
->> Enter name of POT file 14 :
->> Enter name of POT file 15 :
->> Enter name of POT file 16 :
->> Enter name of POT file 17 :
->> Enter name of POT file 18 :
->> Enter name of POT file 19 :
->> Enter name of POT file 20 :
->> Enter name of POT file 21 :
->> Enter name of POT file 22 :
->> Enter name of POT file 23 :
->> Enter name of POT file 24 :
->> Enter name of POT file 25 :
->> Enter name of POT file 26 :
->> Enter name of POT file 27 :
->> Enter name of POT file 28 :
- Reading header of file [1]: MgO_eph_zpr/flow_zpr_mgo/w1/t3/outdata/out_POT1.nc
- Merging file [1]: MgO_eph_zpr/flow_zpr_mgo/w1/t3/outdata/out_POT1.nc
- Reading header of file [2]: MgO_eph_zpr/flow_zpr_mgo/w1/t4/outdata/out_POT4.nc
- Merging file [2]: MgO_eph_zpr/flow_zpr_mgo/w1/t4/outdata/out_POT4.nc
- Reading header of file [3]: MgO_eph_zpr/flow_zpr_mgo/w1/t5/outdata/out_POT1.nc
- Merging file [3]: MgO_eph_zpr/flow_zpr_mgo/w1/t5/outdata/out_POT1.nc
- Reading header of file [4]: MgO_eph_zpr/flow_zpr_mgo/w1/t6/outdata/out_POT2.nc
- Merging file [4]: MgO_eph_zpr/flow_zpr_mgo/w1/t6/outdata/out_POT2.nc
- Reading header of file [5]: MgO_eph_zpr/flow_zpr_mgo/w1/t7/outdata/out_POT4.nc
- Merging file [5]: MgO_eph_zpr/flow_zpr_mgo/w1/t7/outdata/out_POT4.nc
- Reading header of file [6]: MgO_eph_zpr/flow_zpr_mgo/w1/t8/outdata/out_POT5.nc
- Merging file [6]: MgO_eph_zpr/flow_zpr_mgo/w1/t8/outdata/out_POT5.nc
- Reading header of file [7]: MgO_eph_zpr/flow_zpr_mgo/w1/t9/outdata/out_POT1.nc
- Merging file [7]: MgO_eph_zpr/flow_zpr_mgo/w1/t9/outdata/out_POT1.nc
- Reading header of file [8]: MgO_eph_zpr/flow_zpr_mgo/w1/t10/outdata/out_POT2.nc
- Merging file [8]: MgO_eph_zpr/flow_zpr_mgo/w1/t10/outdata/out_POT2.nc
- Reading header of file [9]: MgO_eph_zpr/flow_zpr_mgo/w1/t11/outdata/out_POT4.nc
- Merging file [9]: MgO_eph_zpr/flow_zpr_mgo/w1/t11/outdata/out_POT4.nc
- Reading header of file [10]: MgO_eph_zpr/flow_zpr_mgo/w1/t12/outdata/out_POT5.nc
- Merging file [10]: MgO_eph_zpr/flow_zpr_mgo/w1/t12/outdata/out_POT5.nc
- Reading header of file [11]: MgO_eph_zpr/flow_zpr_mgo/w1/t13/outdata/out_POT1.nc
- Merging file [11]: MgO_eph_zpr/flow_zpr_mgo/w1/t13/outdata/out_POT1.nc
- Reading header of file [12]: MgO_eph_zpr/flow_zpr_mgo/w1/t14/outdata/out_POT4.nc
- Merging file [12]: MgO_eph_zpr/flow_zpr_mgo/w1/t14/outdata/out_POT4.nc
- Reading header of file [13]: MgO_eph_zpr/flow_zpr_mgo/w1/t15/outdata/out_POT1.nc
- Merging file [13]: MgO_eph_zpr/flow_zpr_mgo/w1/t15/outdata/out_POT1.nc
- Reading header of file [14]: MgO_eph_zpr/flow_zpr_mgo/w1/t16/outdata/out_POT2.nc
- Merging file [14]: MgO_eph_zpr/flow_zpr_mgo/w1/t16/outdata/out_POT2.nc
- Reading header of file [15]: MgO_eph_zpr/flow_zpr_mgo/w1/t17/outdata/out_POT3.nc
- Merging file [15]: MgO_eph_zpr/flow_zpr_mgo/w1/t17/outdata/out_POT3.nc
- Reading header of file [16]: MgO_eph_zpr/flow_zpr_mgo/w1/t18/outdata/out_POT4.nc
- Merging file [16]: MgO_eph_zpr/flow_zpr_mgo/w1/t18/outdata/out_POT4.nc
- Reading header of file [17]: MgO_eph_zpr/flow_zpr_mgo/w1/t19/outdata/out_POT5.nc
- Merging file [17]: MgO_eph_zpr/flow_zpr_mgo/w1/t19/outdata/out_POT5.nc
- Reading header of file [18]: MgO_eph_zpr/flow_zpr_mgo/w1/t20/outdata/out_POT6.nc
- Merging file [18]: MgO_eph_zpr/flow_zpr_mgo/w1/t20/outdata/out_POT6.nc
- Reading header of file [19]: MgO_eph_zpr/flow_zpr_mgo/w1/t21/outdata/out_POT1.nc
- Merging file [19]: MgO_eph_zpr/flow_zpr_mgo/w1/t21/outdata/out_POT1.nc
- Reading header of file [20]: MgO_eph_zpr/flow_zpr_mgo/w1/t22/outdata/out_POT3.nc
- Merging file [20]: MgO_eph_zpr/flow_zpr_mgo/w1/t22/outdata/out_POT3.nc
- Reading header of file [21]: MgO_eph_zpr/flow_zpr_mgo/w1/t23/outdata/out_POT4.nc
- Merging file [21]: MgO_eph_zpr/flow_zpr_mgo/w1/t23/outdata/out_POT4.nc
- Reading header of file [22]: MgO_eph_zpr/flow_zpr_mgo/w1/t24/outdata/out_POT6.nc
- Merging file [22]: MgO_eph_zpr/flow_zpr_mgo/w1/t24/outdata/out_POT6.nc
- Reading header of file [23]: MgO_eph_zpr/flow_zpr_mgo/w1/t25/outdata/out_POT1.nc
- Merging file [23]: MgO_eph_zpr/flow_zpr_mgo/w1/t25/outdata/out_POT1.nc
- Reading header of file [24]: MgO_eph_zpr/flow_zpr_mgo/w1/t26/outdata/out_POT4.nc
- Merging file [24]: MgO_eph_zpr/flow_zpr_mgo/w1/t26/outdata/out_POT4.nc
- Reading header of file [25]: MgO_eph_zpr/flow_zpr_mgo/w1/t27/outdata/out_POT1.nc
- Merging file [25]: MgO_eph_zpr/flow_zpr_mgo/w1/t27/outdata/out_POT1.nc
- Reading header of file [26]: MgO_eph_zpr/flow_zpr_mgo/w1/t28/outdata/out_POT2.nc
- Merging file [26]: MgO_eph_zpr/flow_zpr_mgo/w1/t28/outdata/out_POT2.nc
- Reading header of file [27]: MgO_eph_zpr/flow_zpr_mgo/w1/t29/outdata/out_POT4.nc
- Merging file [27]: MgO_eph_zpr/flow_zpr_mgo/w1/t29/outdata/out_POT4.nc
- Reading header of file [28]: MgO_eph_zpr/flow_zpr_mgo/w1/t30/outdata/out_POT5.nc
- Merging file [28]: MgO_eph_zpr/flow_zpr_mgo/w1/t30/outdata/out_POT5.nc
Merged successfully 28 files
- Analyzing DVDB file: t02_DVDB ...
- dvdb_new , wall: 0.00 [s] , cpu: 0.00 [s] <<< TIME
==== Info on the dvdb% object ====
DVDB version: 2
File path: t02_DVDB
Number of v1scf potentials: 28
Number of q-points in DVDB: 8
-P Number of CPUs for parallelism over perturbations: 1
-P Number of perturbations treated by this CPU: 6
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 ] [ 5.0000E-01, 2.5000E-01, 0.0000E+00]
[ 6 ] [-2.5000E-01, 2.5000E-01, 0.0000E+00]
[ 7 ] [ 5.0000E-01, 5.0000E-01, 0.0000E+00]
[ 8 ] [-2.5000E-01, 5.0000E-01, 2.5000E-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=symmetric, found=No
4) idir= 1, ipert= 2, type=independent, found=Yes
5) idir= 2, ipert= 2, type=symmetric, found=No
6) idir= 3, ipert= 2, 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=symmetric, found=No
4) idir= 1, ipert= 2, type=independent, found=Yes
5) idir= 2, ipert= 2, type=independent, found=Yes
6) idir= 3, ipert= 2, 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=symmetric, found=No
4) idir= 1, ipert= 2, type=independent, found=Yes
5) idir= 2, ipert= 2, type=independent, found=Yes
6) idir= 3, ipert= 2, 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=symmetric, found=No
4) idir= 1, ipert= 2, type=independent, found=Yes
5) idir= 2, ipert= 2, type=symmetric, found=No
6) idir= 3, ipert= 2, type=symmetric, found=No
More than 20 q-points with prtvol == 0. Only important messages will be printed...
qpoint: [ 5.0000E-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=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
All the independent perturbations are available
Done
Reference in New Issue View Git Blame Copy Permalink