
  ___ ___ ___ _ _ _  
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 |__ |  _|___|_____|  23.6.1b1
 |___|_|             

User:   aes38@compute-38
Date:   Wed Jul 19 13:17:14 2023
Arch:   x86_64
Pid:    279015
CWD:    /users/home/aes38/Rydberg/new/ethylene/pbe/fd/mom/secondext
Python: 3.9.6
gpaw:   /users/home/aes38/fd-gmf/gpaw (f024f0dc2f)
_gpaw:  /users/home/aes38/fd-gmf/build/lib.linux-x86_64-3.9/
        _gpaw.cpython-39-x86_64-linux-gnu.so (fd7e331516)
ase:    /hpcapps/source/ase_dev/ase (version 3.23.0b1-d4c62f2276)
numpy:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/numpy (version 1.22.4)
scipy:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/scipy (version 1.8.1)
libxc:  5.1.6
units:  Angstrom and eV
cores: 8
OpenMP: False
OMP_NUM_THREADS: 1

iter:   1  13:17:33  -23.600554     0.000000   -23.600554      5.0e-01      1.5e+00
iter:   2  13:17:52  -23.816230     0.000000   -23.816230      5.0e-01      9.4e-01
iter:   3  13:18:11  -23.914673     0.000000   -23.914673      5.0e-01      1.7e-01
iter:   4  13:18:31  -23.918419     0.000000   -23.918419      5.0e-01      4.4e-02
iter:   5  13:18:50  -23.918466     0.000000   -23.918466      5.0e-01      3.4e-02
iter:   6  13:19:10  -23.906948     0.000000   -23.906948      5.0e-01      5.2e-01
iter:   7  13:19:30  -23.918416     0.000000   -23.918416      5.0e-01      8.3e-03
iter:   8  13:19:50  -23.918420     0.000000   -23.918420      2.5e-12      8.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:8
iter:   1  13:20:27  -24.547101     0.000000   -24.547101      5.0e-01      1.6e-01
iter:   2  13:20:47  -24.548813     0.000000   -24.548813      5.0e-01      6.2e-02
iter:   3  13:21:06  -24.549450     0.000000   -24.549450      5.0e-01      1.8e-02
iter:   4  13:21:26  -24.549501     0.000000   -24.549501      2.6e-15      3.9e-03
iter:   5  13:21:46  -24.549502     0.000000   -24.549502      1.4e-15      2.0e-03
iter:   6  13:22:05  -24.549501     0.000000   -24.549501      2.8e-15      6.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  13:22:50  -24.876415     0.000000   -24.876415      5.0e-01      1.9e-01
iter:   2  13:23:09  -24.879324     0.000000   -24.879324      5.0e-01      6.7e-02
iter:   3  13:23:29  -24.880002     0.000000   -24.880002      5.0e-01      2.1e-02
iter:   4  13:23:48  -24.880068     0.000000   -24.880068      4.9e-15      4.8e-03
iter:   5  13:24:07  -24.880067     0.000000   -24.880067      3.8e-15      3.3e-03
iter:   6  13:24:27  -24.880066     0.000000   -24.880066      5.8e-15      2.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  13:25:14  -24.906445     0.000000   -24.906445      5.0e-01      5.1e-02
iter:   2  13:25:33  -24.906617     0.000000   -24.906617      5.0e-01      1.3e-02
iter:   3  13:25:51  -24.906635     0.000000   -24.906635      5.9e-15      3.5e-03
iter:   4  13:26:10  -24.906637     0.000000   -24.906637      1.5e-15      6.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  13:26:59  -24.924567     0.000000   -24.924567      5.0e-01      4.6e-02
iter:   2  13:27:19  -24.924635     0.000000   -24.924635      5.0e-01      3.2e-02
iter:   3  13:27:38  -24.924765     0.000000   -24.924765      7.2e-15      4.2e-03
iter:   4  13:27:57  -24.924767     0.000000   -24.924767      5.0e-15      3.5e-03
iter:   5  13:28:16  -24.924766     0.000000   -24.924766      5.7e-15      1.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:5
iter:   1  13:29:06  -24.852566     0.000000   -24.852566      5.0e-01      5.1e-02
iter:   2  13:29:26  -24.852664     0.000000   -24.852664      5.0e-01      5.6e-02
iter:   3  13:29:45  -24.853086     0.000000   -24.853086      6.7e-15      5.1e-03
iter:   4  13:30:04  -24.853089     0.000000   -24.853089      7.6e-15      1.0e-03
iter:   5  13:30:23  -24.853089     0.000000   -24.853089      7.7e-15      9.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:5
iter:   1  13:31:12  -24.876188     0.000000   -24.876188      5.0e-01      1.4e-02
iter:   2  13:31:31  -24.876199     0.000000   -24.876199      5.0e-01      1.5e-02
iter:   3  13:31:51  -24.876231     0.000000   -24.876231      7.0e-14      3.0e-03
iter:   4  13:32:10  -24.876231     0.000000   -24.876231      7.8e-14      2.9e-03
iter:   5  13:32:29  -24.876230     0.000000   -24.876230      9.2e-14      7.0e-05
INNER LOOP FINISHED.

Total number of e/g calls:5
iter:   1  13:33:18  -24.948203     0.000000   -24.948203      5.0e-01      2.1e-02
iter:   2  13:33:36  -24.948228     0.000000   -24.948228      6.4e-15      5.2e-03
iter:   3  13:33:55  -24.948233     0.000000   -24.948233      4.0e-15      1.7e-03
iter:   4  13:34:13  -24.948233     0.000000   -24.948233      7.1e-15      2.9e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  13:35:00  -24.954741     0.000000   -24.954741      5.0e-01      1.0e-02
iter:   2  13:35:18  -24.954743     0.000000   -24.954743      5.0e-01      8.5e-03
iter:   3  13:35:37  -24.954753     0.000000   -24.954753      5.7e-15      8.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  13:36:25  -24.954491     0.000000   -24.954491      4.4e-15      4.7e-03
iter:   2  13:36:44  -24.954492     0.000000   -24.954492      4.3e-15      4.1e-03
iter:   3  13:37:03  -24.954494     0.000000   -24.954494      4.6e-15      2.6e-03
iter:   4  13:37:22  -24.954494     0.000000   -24.954494      2.6e-15      3.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  13:38:09  -24.949520     0.000000   -24.949520      5.0e-01      9.4e-03
iter:   2  13:38:28  -24.949523     0.000000   -24.949523      7.4e-15      5.2e-03
iter:   3  13:38:47  -24.949527     0.000000   -24.949527      3.8e-15      8.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  13:39:36  -24.957058     0.000000   -24.957058      7.1e-15      1.3e-03
iter:   2  13:39:55  -24.957059     0.000000   -24.957059      5.5e-15      2.7e-03
iter:   3  13:40:14  -24.957058     0.000000   -24.957058      8.2e-15      4.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  13:41:00  -24.956871     0.000000   -24.956871      7.4e-15      1.4e-03
iter:   2  13:41:18  -24.956871     0.000000   -24.956871      2.6e-15      1.3e-03
iter:   3  13:41:37  -24.956871     0.000000   -24.956871      1.1e-14      6.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  13:42:24  -24.956713     0.000000   -24.956713      4.0e-15      3.7e-03
iter:   2  13:42:43  -24.956714     0.000000   -24.956714      5.8e-15      2.2e-03
iter:   3  13:43:02  -24.956716     0.000000   -24.956716      3.5e-15      5.0e-03
iter:   4  13:43:21  -24.956714     0.000000   -24.956714      3.7e-15      2.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  13:44:08  -24.938546     0.000000   -24.938546      4.2e-15      2.3e-03
iter:   2  13:44:26  -24.938546     0.000000   -24.938546      5.1e-15      2.0e-03
iter:   3  13:44:45  -24.938547     0.000000   -24.938547      6.5e-15      4.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  13:45:35  -24.958039     0.000000   -24.958039      9.7e-15      2.4e-03
iter:   2  13:45:54  -24.958039     0.000000   -24.958039      4.6e-15      2.8e-03
iter:   3  13:46:13  -24.958040     0.000000   -24.958040      3.6e-15      1.2e-03
iter:   4  13:46:30  -24.958040     0.000000   -24.958040      1.2e-15      9.1e-05
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  13:48:06  -24.958439     0.000000   -24.958439      6.8e-15      2.3e-03
iter:   2  13:48:25  -24.958439     0.000000   -24.958439      6.1e-15      1.9e-03
iter:   3  13:48:44  -24.958439     0.000000   -24.958439      3.2e-15      2.4e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  13:49:33  -24.958275     0.000000   -24.958275      5.4e-15      1.7e-03
iter:   2  13:49:51  -24.958276     0.000000   -24.958276      2.9e-15      8.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  13:50:39  -24.958453     0.000000   -24.958453      4.2e-15      2.1e-03
iter:   2  13:50:57  -24.958453     0.000000   -24.958453      6.1e-15      6.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  13:53:23  -24.958756     0.000000   -24.958756      4.0e-15      1.0e-03
iter:   2  13:53:41  -24.958756     0.000000   -24.958756      8.4e-15      6.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:2
iter:   1  13:55:19  -24.958777     0.000000   -24.958777      4.0e-15      1.0e-03
iter:   2  13:55:38  -24.958777     0.000000   -24.958777      3.4e-15      1.4e-03
iter:   3  13:55:56  -24.958777     0.000000   -24.958777      7.5e-15      4.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:03:12  -24.958772     0.000000   -24.958772      6.2e-15      1.1e-03
iter:   2  14:03:31  -24.958772     0.000000   -24.958772      5.6e-15      3.4e-03
iter:   3  14:03:49  -24.958772     0.000000   -24.958772      7.1e-15      8.7e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:16:46  -24.958788     0.000000   -24.958788      4.0e-15      1.0e-03
iter:   2  14:17:04  -24.958789     0.000000   -24.958789      2.3e-15      3.2e-03
iter:   3  14:17:23  -24.958788     0.000000   -24.958788      6.2e-15      8.3e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:19:01  -24.958787     0.000000   -24.958787      4.3e-15      4.4e-03
iter:   2  14:19:19  -24.958800     0.000000   -24.958800      5.0e-01      1.3e-02
iter:   3  14:19:38  -24.958786     0.000000   -24.958786      6.7e-15      4.7e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:20:27  -24.958788     0.000000   -24.958788      4.9e-15      3.2e-03
iter:   2  14:20:45  -24.958795     0.000000   -24.958795      5.0e-01      9.6e-03
iter:   3  14:21:04  -24.958788     0.000000   -24.958788      6.4e-15      5.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:21:52  -24.958780     0.000000   -24.958780      3.1e-15      1.2e-03
iter:   2  14:22:10  -24.958781     0.000000   -24.958781      3.3e-15      3.6e-03
iter:   3  14:22:29  -24.958780     0.000000   -24.958780      6.2e-15      1.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:23:55  -24.958788     0.000000   -24.958788      7.0e-15      2.6e-03
iter:   2  14:24:11  -24.958792     0.000000   -24.958792      5.0e-01      7.8e-03
iter:   3  14:24:27  -24.958787     0.000000   -24.958787      5.1e-15      2.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:25:53  -24.958787     0.000000   -24.958787      3.0e-15      4.5e-03
iter:   2  14:26:10  -24.958800     0.000000   -24.958800      5.0e-01      1.4e-02
iter:   3  14:26:26  -24.958785     0.000000   -24.958785      1.5e-15      5.4e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:27:09  -24.958789     0.000000   -24.958789      2.7e-15      2.6e-03
iter:   2  14:27:26  -24.958793     0.000000   -24.958793      5.0e-01      7.8e-03
iter:   3  14:27:42  -24.958788     0.000000   -24.958788      3.8e-15      5.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:29:08  -24.958788     0.000000   -24.958788      4.7e-15      1.4e-03
iter:   2  14:29:24  -24.958790     0.000000   -24.958790      8.1e-15      4.3e-03
iter:   3  14:29:41  -24.958788     0.000000   -24.958788      5.9e-15      8.8e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:31:05  -24.958788     0.000000   -24.958788      3.0e-15      2.9e-03
iter:   2  14:31:19  -24.958794     0.000000   -24.958794      5.0e-01      8.8e-03
iter:   3  14:31:33  -24.958788     0.000000   -24.958788      5.5e-15      1.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:32:10  -24.958785     0.000000   -24.958785      4.1e-15      1.5e-03
iter:   2  14:32:25  -24.958786     0.000000   -24.958786      4.6e-15      4.6e-03
iter:   3  14:32:39  -24.958785     0.000000   -24.958785      2.6e-15      1.8e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:34:33  -24.958788     0.000000   -24.958788      8.2e-15      1.4e-03
iter:   2  14:34:47  -24.958790     0.000000   -24.958790      3.5e-15      4.3e-03
iter:   3  14:35:01  -24.958788     0.000000   -24.958788      4.2e-15      3.5e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:36:19  -24.958788     0.000000   -24.958788      6.9e-15      1.1e-03
iter:   2  14:36:33  -24.958789     0.000000   -24.958789      1.1e-14      3.3e-03
iter:   3  14:36:48  -24.958788     0.000000   -24.958788      3.2e-15      6.2e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:39:20  -24.958779     0.000000   -24.958779      6.1e-15      4.9e-03
iter:   2  14:39:34  -24.958795     0.000000   -24.958795      5.0e-01      1.5e-02
iter:   3  14:39:49  -24.958778     0.000000   -24.958778      4.6e-15      2.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:40:27  -24.958790     0.000000   -24.958790      3.1e-15      4.2e-03
iter:   2  14:40:41  -24.958802     0.000000   -24.958802      5.0e-01      1.3e-02
iter:   3  14:40:55  -24.958788     0.000000   -24.958788      2.4e-15      3.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:42:10  -24.958494     0.000000   -24.958494      5.0e-01      2.7e-02
iter:   2  14:42:24  -24.958981     0.000000   -24.958981      5.0e-01      8.1e-02
iter:   3  14:42:38  -24.958438     0.000000   -24.958438      7.2e-15      1.8e-03
iter:   4  14:42:52  -24.958439     0.000000   -24.958439      1.2e-14      2.8e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  14:43:29  -24.958840     0.000000   -24.958840      5.0e-01      2.6e-02
iter:   2  14:43:44  -24.959305     0.000000   -24.959305      5.0e-01      7.9e-02
iter:   3  14:43:58  -24.958787     0.000000   -24.958787      3.4e-15      1.7e-03
iter:   4  14:44:11  -24.958788     0.000000   -24.958788      4.6e-15      3.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  14:45:28  -24.958785     0.000000   -24.958785      3.2e-15      3.0e-03
iter:   2  14:45:42  -24.958791     0.000000   -24.958791      5.0e-01      9.1e-03
iter:   3  14:45:56  -24.958784     0.000000   -24.958784      2.7e-15      3.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:46:35  -24.958788     0.000000   -24.958788      8.1e-15      1.7e-03
iter:   2  14:46:49  -24.958790     0.000000   -24.958790      8.7e-15      5.2e-03
iter:   3  14:47:03  -24.958788     0.000000   -24.958788      4.8e-15      2.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:48:20  -24.958783     0.000000   -24.958783      8.1e-15      3.6e-03
iter:   2  14:48:34  -24.958791     0.000000   -24.958791      5.0e-01      1.1e-02
iter:   3  14:48:48  -24.958782     0.000000   -24.958782      2.6e-15      2.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:49:26  -24.958789     0.000000   -24.958789      1.2e-15      2.4e-03
iter:   2  14:49:41  -24.958793     0.000000   -24.958793      5.0e-01      7.4e-03
iter:   3  14:49:56  -24.958788     0.000000   -24.958788      3.0e-15      2.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  14:51:12  -24.958712     0.000000   -24.958712      5.0e-01      1.1e-02
iter:   2  14:51:26  -24.958802     0.000000   -24.958802      5.0e-01      3.5e-02
iter:   3  14:51:40  -24.958704     0.000000   -24.958704      3.3e-15      1.8e-03
iter:   4  14:51:54  -24.958704     0.000000   -24.958704      1.6e-15      1.8e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  14:52:32  -24.958800     0.000000   -24.958800      5.0e-01      1.4e-02
iter:   2  14:52:46  -24.958929     0.000000   -24.958929      5.0e-01      4.1e-02
iter:   3  14:53:00  -24.958788     0.000000   -24.958788      9.8e-15      1.9e-03
iter:   4  14:53:14  -24.958788     0.000000   -24.958788      5.6e-15      2.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:4
iter:   1  14:53:53  -24.958788     0.000000   -24.958788      3.2e-15      1.2e-03
iter:   2  14:54:06  -24.958789     0.000000   -24.958789      6.8e-15      3.5e-03
iter:   3  14:54:21  -24.958788     0.000000   -24.958788      7.1e-15      8.5e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
Memory usage: 2.36 GiB
Date: Wed Jul 19 15:26:14 2023
