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

User:   aes38@compute-30
Date:   Mon Jul 17 12:53:57 2023
Arch:   x86_64
Pid:    3007464
CWD:    /users/home/aes38/Rydberg/new/ethylene/pbe/fd/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  12:54:16  -23.549720     0.000000   -23.549720      5.0e-01      1.5e+00
iter:   2  13:02:48  -23.767979     0.000000   -23.767979      5.0e-01      9.6e-01
iter:   3  13:04:25  -23.859614     0.000000   -23.859614      5.0e-01      2.2e-01
iter:   4  13:06:40  -23.864038     0.000000   -23.864038      5.0e-01      8.7e-02
iter:   5  13:08:17  -23.865209     0.000000   -23.865209      5.0e-01      4.4e-02
iter:   6  13:09:55  -23.865496     0.000000   -23.865496      5.0e-01      7.4e-02
iter:   7  13:12:10  -23.865219     0.000000   -23.865219      5.0e-01      2.7e-02
iter:   8  13:14:26  -23.865106     0.000000   -23.865106      5.0e-01      2.5e-02
iter:   9  13:15:24  -23.865245     0.000000   -23.865245      5.0e-01      9.7e-03
iter:  10  13:16:22  -23.865244     0.000000   -23.865244      5.0e-01      1.1e-02
iter:  11  13:17:19  -23.865247     0.000000   -23.865247      3.2e-15      9.6e-04
iter:  12  13:18:18  -23.865248     0.000000   -23.865248      3.5e-15      3.1e-03
iter:  13  13:19:17  -23.865247     0.000000   -23.865247      2.4e-15      1.9e-04
INNER LOOP FINISHED.

Total number of e/g calls:79
iter:   1  13:19:55  -24.495300     0.000000   -24.495300      5.0e-01      1.7e-01
iter:   2  13:25:04  -24.496947     0.000000   -24.496947      5.0e-01      6.0e-02
iter:   3  13:26:02  -24.497543     0.000000   -24.497543      5.0e-01      2.3e-02
iter:   4  13:27:01  -24.497610     0.000000   -24.497610      5.0e-01      1.6e-02
iter:   5  13:28:00  -24.497634     0.000000   -24.497634      2.0e-15      4.2e-03
iter:   6  13:28:59  -24.497635     0.000000   -24.497635      4.1e-15      3.4e-03
iter:   7  13:29:56  -24.497634     0.000000   -24.497634      3.9e-15      2.1e-03
iter:   8  13:30:55  -24.497634     0.000000   -24.497634      2.9e-15      2.0e-03
iter:   9  13:31:54  -24.497634     0.000000   -24.497634      3.9e-15      5.4e-04
iter:  10  13:32:53  -24.497634     0.000000   -24.497634      3.0e-15      8.8e-04
iter:  11  13:33:51  -24.497634     0.000000   -24.497634      5.6e-15      3.9e-05
INNER LOOP FINISHED.

Total number of e/g calls:44
iter:   1  13:34:37  -24.822845     0.000000   -24.822845      5.0e-01      2.1e-01
iter:   2  13:40:02  -24.825523     0.000000   -24.825523      5.0e-01      6.3e-02
iter:   3  13:40:58  -24.826126     0.000000   -24.826126      5.0e-01      2.7e-02
iter:   4  13:41:55  -24.826219     0.000000   -24.826219      5.0e-01      1.5e-02
iter:   5  13:42:53  -24.826242     0.000000   -24.826242      3.2e-15      3.8e-03
iter:   6  13:43:51  -24.826242     0.000000   -24.826242      6.1e-15      1.5e-03
iter:   7  13:44:48  -24.826242     0.000000   -24.826242      8.1e-16      1.2e-03
iter:   8  13:45:46  -24.826242     0.000000   -24.826242      4.5e-15      9.4e-04
iter:   9  13:46:44  -24.826242     0.000000   -24.826242      1.2e-14      4.3e-05
INNER LOOP FINISHED.

Total number of e/g calls:39
iter:   1  13:47:30  -24.850832     0.000000   -24.850832      5.0e-01      4.7e-02
iter:   2  13:52:31  -24.850969     0.000000   -24.850969      5.0e-01      1.1e-02
iter:   3  13:53:27  -24.850981     0.000000   -24.850981      4.4e-15      3.6e-03
iter:   4  13:54:25  -24.850982     0.000000   -24.850982      4.5e-15      2.4e-03
iter:   5  13:55:23  -24.850983     0.000000   -24.850983      1.1e-14      3.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:26
iter:   1  13:56:12  -24.866557     0.000000   -24.866557      5.0e-01      3.6e-02
iter:   2  14:01:16  -24.866589     0.000000   -24.866589      5.0e-01      2.9e-02
iter:   3  14:02:13  -24.866695     0.000000   -24.866695      5.2e-15      5.2e-03
iter:   4  14:03:10  -24.866697     0.000000   -24.866697      1.4e-14      1.8e-03
iter:   5  14:04:08  -24.866697     0.000000   -24.866697      7.5e-15      3.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:26
iter:   1  14:04:55  -24.828592     0.000000   -24.828592      5.0e-01      4.6e-02
iter:   2  14:09:58  -24.828617     0.000000   -24.828617      5.0e-01      5.2e-02
iter:   3  14:10:56  -24.828973     0.000000   -24.828973      5.0e-01      6.1e-03
iter:   4  14:11:53  -24.828975     0.000000   -24.828975      5.0e-13      2.1e-03
iter:   5  14:12:50  -24.828975     0.000000   -24.828975      2.3e-13      3.9e-04
INNER LOOP FINISHED.

Total number of e/g calls:26
iter:   1  14:13:38  -24.803816     0.000000   -24.803816      5.0e-01      1.9e-02
iter:   2  14:19:18  -24.803816     0.000000   -24.803816      5.0e-01      2.1e-02
iter:   3  14:20:17  -24.803875     0.000000   -24.803875      1.9e-13      1.3e-03
iter:   4  14:21:13  -24.803875     0.000000   -24.803875      1.5e-13      6.4e-04
iter:   5  14:22:10  -24.803876     0.000000   -24.803876      1.0e-13      3.8e-04
INNER LOOP FINISHED.

Total number of e/g calls:28
iter:   1  14:22:58  -24.886717     0.000000   -24.886717      5.0e-01      1.7e-02
iter:   2  14:28:18  -24.886731     0.000000   -24.886731      6.0e-15      5.2e-03
iter:   3  14:29:15  -24.886736     0.000000   -24.886736      7.0e-15      1.9e-03
iter:   4  14:30:11  -24.886736     0.000000   -24.886736      6.4e-15      9.8e-04
iter:   5  14:31:08  -24.886736     0.000000   -24.886736      7.0e-15      4.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:27
iter:   1  14:31:56  -24.892248     0.000000   -24.892248      5.0e-01      9.1e-03
iter:   2  14:37:29  -24.892250     0.000000   -24.892250      5.0e-01      6.8e-03
iter:   3  14:38:25  -24.892256     0.000000   -24.892256      4.9e-15      1.0e-03
iter:   4  14:39:21  -24.892256     0.000000   -24.892256      3.3e-15      5.0e-04
iter:   5  14:40:16  -24.892256     0.000000   -24.892256      7.7e-15      3.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:28
iter:   1  14:41:04  -24.892602     0.000000   -24.892602      5.3e-15      4.5e-03
iter:   2  14:46:02  -24.892603     0.000000   -24.892603      4.6e-15      3.3e-03
iter:   3  14:46:58  -24.892605     0.000000   -24.892605      1.0e-14      7.4e-04
iter:   4  14:47:53  -24.892605     0.000000   -24.892605      7.5e-15      6.3e-04
iter:   5  14:48:49  -24.892605     0.000000   -24.892605      1.3e-14      1.9e-04
INNER LOOP FINISHED.

Total number of e/g calls:26
iter:   1  14:49:39  -24.879990     0.000000   -24.879990      5.0e-01      1.0e-02
iter:   2  14:55:19  -24.879992     0.000000   -24.879992      5.0e-01      5.5e-03
iter:   3  14:56:15  -24.879997     0.000000   -24.879997      2.2e-13      1.6e-03
iter:   4  14:57:11  -24.879997     0.000000   -24.879997      9.7e-14      7.3e-04
iter:   5  14:58:08  -24.879997     0.000000   -24.879997      2.9e-14      3.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:28
iter:   1  14:58:56  -24.894751     0.000000   -24.894751      7.6e-15      2.9e-03
iter:   2  15:04:13  -24.894751     0.000000   -24.894751      4.6e-15      9.5e-04
iter:   3  15:05:08  -24.894751     0.000000   -24.894751      5.9e-15      5.1e-04
iter:   4  15:06:04  -24.894751     0.000000   -24.894751      6.1e-15      5.6e-04
iter:   5  15:07:01  -24.894751     0.000000   -24.894751      6.2e-15      1.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:27
iter:   1  15:07:49  -24.894954     0.000000   -24.894954      7.6e-15      1.7e-03
iter:   2  15:12:45  -24.894954     0.000000   -24.894954      5.6e-15      1.0e-03
iter:   3  15:13:41  -24.894954     0.000000   -24.894954      6.6e-15      2.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:20
iter:   1  15:14:29  -24.894355     0.000000   -24.894355      7.1e-15      4.3e-03
iter:   2  15:18:15  -24.869664     0.000000   -24.869664      5.0e-01      3.5e-01
iter:   3  15:22:55  -24.875101     0.000000   -24.875101      5.0e-01      3.0e-01
iter:   4  15:24:28  -24.888946     0.000000   -24.888946      5.0e-01      1.7e-01
iter:   5  15:26:39  -24.891979     0.000000   -24.891979      5.0e-01      1.5e-01
iter:   6  15:28:31  -24.894031     0.000000   -24.894031      5.0e-01      4.9e-02
iter:   7  15:30:42  -24.894299     0.000000   -24.894299      5.0e-01      1.3e-02
iter:   8  15:31:37  -24.894320     0.000000   -24.894320      5.0e-01      1.2e-02
iter:   9  15:32:33  -24.894355     0.000000   -24.894355      3.8e-15      1.7e-03
iter:  10  15:33:29  -24.894355     0.000000   -24.894355      9.3e-15      1.9e-03
iter:  11  15:34:24  -24.894356     0.000000   -24.894356      2.2e-15      7.4e-04
iter:  12  15:35:19  -24.894356     0.000000   -24.894356      4.6e-15      7.0e-04
iter:  13  15:36:16  -24.894356     0.000000   -24.894356      9.7e-15      3.2e-05
INNER LOOP FINISHED.

Total number of e/g calls:71
iter:   1  15:37:06  -24.882946     0.000000   -24.882946      1.4e-13      2.2e-03
iter:   2  15:42:39  -24.882946     0.000000   -24.882946      6.9e-14      1.8e-03
iter:   3  15:43:36  -24.882947     0.000000   -24.882947      2.3e-13      3.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:22
iter:   1  15:44:25  -24.895545     0.000000   -24.895545      4.6e-14      1.3e-03
iter:   2  15:49:23  -24.895545     0.000000   -24.895545      2.2e-15      1.5e-03
iter:   3  15:50:19  -24.895546     0.000000   -24.895546      2.2e-14      2.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:20
iter:   1  15:51:08  -24.896197     0.000000   -24.896197      1.2e-13      8.8e-04
iter:   2  15:56:39  -24.896197     0.000000   -24.896197      6.2e-15      1.0e-03
iter:   3  15:57:34  -24.896197     0.000000   -24.896197      4.9e-15      1.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:22
iter:   1  15:58:22  -24.896066     0.000000   -24.896066      3.1e-13      1.5e-03
iter:   2  16:02:01  -24.871310     0.000000   -24.871310      5.0e-01      3.5e-01
iter:   3  16:05:44  -24.876799     0.000000   -24.876799      5.0e-01      3.0e-01
iter:   4  16:07:18  -24.891471     0.000000   -24.891471      5.0e-01      1.4e-01
iter:   5  16:09:27  -24.895654     0.000000   -24.895654      5.0e-01      7.6e-02
iter:   6  16:10:22  -24.895792     0.000000   -24.895792      5.0e-01      3.0e-02
iter:   7  16:11:17  -24.896052     0.000000   -24.896052      5.0e-01      1.2e-02
iter:   8  16:12:13  -24.896055     0.000000   -24.896055      5.0e-01      7.7e-03
iter:   9  16:13:10  -24.896066     0.000000   -24.896066      7.3e-14      2.4e-03
iter:  10  16:14:07  -24.896066     0.000000   -24.896066      5.5e-14      2.2e-03
iter:  11  16:15:02  -24.896066     0.000000   -24.896066      3.9e-13      4.4e-04
INNER LOOP FINISHED.

Total number of e/g calls:55
iter:   1  16:15:51  -24.896129     0.000000   -24.896129      2.7e-13      1.8e-03
iter:   2  16:20:46  -24.896129     0.000000   -24.896129      1.8e-13      1.5e-03
iter:   3  16:21:42  -24.896129     0.000000   -24.896129      2.3e-13      2.4e-04
INNER LOOP FINISHED.

Total number of e/g calls:20
iter:   1  16:22:31  -24.893664     0.000000   -24.893664      3.2e-13      2.7e-03
iter:   2  16:27:09  -24.893664     0.000000   -24.893664      2.4e-13      9.0e-04
iter:   3  16:27:59  -24.893664     0.000000   -24.893664      3.6e-13      4.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:21
iter:   1  16:28:42  -24.896466     0.000000   -24.896466      2.2e-13      1.2e-03
iter:   2  16:32:43  -24.896466     0.000000   -24.896466      4.9e-13      5.2e-04
iter:   3  16:33:32  -24.896466     0.000000   -24.896466      1.5e-13      2.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:19
iter:   1  16:34:59  -24.896482     0.000000   -24.896482      2.9e-13      8.7e-04
iter:   2  16:39:32  -24.896482     0.000000   -24.896482      4.0e-13      5.6e-04
iter:   3  16:40:20  -24.896482     0.000000   -24.896482      1.2e-13      1.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:21
iter:   1  16:41:04  -24.896043     0.000000   -24.896043      1.6e-13      6.2e-04
iter:   2  16:45:37  -24.896043     0.000000   -24.896043      5.4e-14      7.2e-04
iter:   3  16:46:26  -24.896043     0.000000   -24.896043      1.0e-14      1.0e-04
INNER LOOP FINISHED.

Total number of e/g calls:21
iter:   1  16:52:13  -24.896549     0.000000   -24.896549      1.5e-13      5.5e-04
iter:   2  16:56:33  -24.896549     0.000000   -24.896549      1.2e-13      6.3e-04
iter:   3  16:57:22  -24.896549     0.000000   -24.896549      2.8e-13      2.8e-05
INNER LOOP FINISHED.

Total number of e/g calls:20
iter:   1  17:11:03  -24.896552     0.000000   -24.896552      7.9e-14      8.9e-04
iter:   2  17:15:24  -24.896552     0.000000   -24.896552      3.1e-13      1.9e-04
INNER LOOP FINISHED.

Total number of e/g calls:17
iter:   1  17:16:08  -24.896552     0.000000   -24.896552      1.1e-13      5.9e-04
iter:   2  17:20:42  -24.896552     0.000000   -24.896552      2.4e-13      2.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:18
iter:   1  17:21:25  -24.896552     0.000000   -24.896552      3.9e-13      6.6e-04
iter:   2  17:26:18  -24.896552     0.000000   -24.896552      2.0e-13      1.4e-04
INNER LOOP FINISHED.

Total number of e/g calls:19
iter:   1  17:27:01  -24.896552     0.000000   -24.896552      1.6e-13      6.1e-04
iter:   2  17:31:20  -24.896552     0.000000   -24.896552      1.5e-13      1.9e-04
INNER LOOP FINISHED.

Total number of e/g calls:17
Memory usage: 2.06 GiB
Date: Mon Jul 17 18:03:12 2023
