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

User:   aes38@compute-63
Date:   Wed Jul 19 13:16:25 2023
Arch:   x86_64
Pid:    2184962
CWD:    /users/home/aes38/Rydberg/new/formaldehyde/pbe/fd/mom/firstext
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  13:16:41  -18.431749     0.000000   -18.431749      5.0e-01      4.7e+00
iter:   2  13:16:58  -18.925770     0.000000   -18.925770      5.0e-01      8.4e-01
iter:   3  13:17:15  -18.943193     0.000000   -18.943193      5.0e-01      5.1e-02
iter:   4  13:17:32  -18.938014     0.000000   -18.938014      5.0e-01      2.0e-01
iter:   5  13:17:49  -18.943420     0.000000   -18.943420      4.9e-14      1.5e-03
iter:   6  13:18:07  -18.943420     0.000000   -18.943420      2.6e-14      5.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:6
iter:   1  13:18:45  -19.098771     0.000000   -19.098771      5.0e-01      5.2e-01
iter:   2  13:19:04  -19.088261     0.000000   -19.088261      5.0e-01      7.9e-01
iter:   3  13:19:23  -19.107228     0.000000   -19.107228      5.0e-01      6.2e-03
iter:   4  13:19:42  -19.107229     0.000000   -19.107229      5.0e-01      6.4e-03
iter:   5  13:20:02  -19.107233     0.000000   -19.107233      2.7e-14      2.2e-04
INNER LOOP FINISHED.

Total number of e/g calls:5
iter:   1  13:20:49  -19.217984     0.000000   -19.217984      5.0e-01      8.7e-01
iter:   2  13:21:08  -19.188559     0.000000   -19.188559      5.0e-01      1.3e+00
iter:   3  13:21:27  -19.241815     0.000000   -19.241815      5.0e-01      2.3e-02
iter:   4  13:21:45  -19.241849     0.000000   -19.241849      5.0e-01      6.1e-03
iter:   5  13:22:04  -19.241853     0.000000   -19.241853      2.9e-14      5.6e-04
INNER LOOP FINISHED.

Total number of e/g calls:5
iter:   1  13:22:51  -19.249209     0.000000   -19.249209      5.0e-01      1.6e-01
iter:   2  13:23:09  -19.248277     0.000000   -19.248277      5.0e-01      2.4e-01
iter:   3  13:23:27  -19.249997     0.000000   -19.249997      7.5e-14      1.6e-03
iter:   4  13:23:45  -19.249997     0.000000   -19.249997      1.1e-13      1.5e-03
iter:   5  13:24:04  -19.249997     0.000000   -19.249997      1.7e-14      2.7e-05
INNER LOOP FINISHED.

Total number of e/g calls:5
iter:   1  13:24:53  -19.253372     0.000000   -19.253372      5.0e-01      5.1e-02
iter:   2  13:25:11  -19.253315     0.000000   -19.253315      5.0e-01      6.4e-02
iter:   3  13:25:29  -19.253441     0.000000   -19.253441      4.9e-14      9.3e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  13:26:17  -19.253920     0.000000   -19.253920      5.0e-01      2.0e-02
iter:   2  13:26:35  -19.253910     0.000000   -19.253910      5.0e-01      2.5e-02
iter:   3  13:26:54  -19.253930     0.000000   -19.253930      9.3e-14      3.1e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  13:27:42  -19.254085     0.000000   -19.254085      9.8e-14      3.4e-03
iter:   2  13:28:00  -19.254085     0.000000   -19.254085      1.1e-13      3.2e-03
iter:   3  13:28:19  -19.254085     0.000000   -19.254085      6.7e-14      2.8e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  13:29:07  -19.253761     0.000000   -19.253761      5.0e-01      6.9e-03
iter:   2  13:29:25  -19.253760     0.000000   -19.253760      5.0e-01      8.7e-03
iter:   3  13:29:43  -19.253763     0.000000   -19.253763      3.9e-14      2.5e-04
INNER LOOP FINISHED.

Total number of e/g calls:3
iter:   1  13:30:31  -19.254150     0.000000   -19.254150      1.0e-14      1.9e-03
iter:   2  13:30:48  -19.254150     0.000000   -19.254150      1.3e-14      2.6e-03
iter:   3  13:31:06  -19.254150     0.000000   -19.254150      6.0e-14      2.6e-05
INNER LOOP FINISHED.

Total number of e/g calls:3
Memory usage: 2.19 GiB
Date: Wed Jul 19 14:10:30 2023
