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User:   aes38@compute-40
Date:   Fri Jul 14 16:13:25 2023
Arch:   x86_64
Pid:    3991239
CWD:    /users/home/aes38/Rydberg/new/ammonia/pbe/fd/fourthext
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

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iter: 1906  21:55:48   -9.034719     0.000000    -9.034719      5.0e-01      1.6e-01
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iter: 1910  21:58:26   -9.034737     0.000000    -9.034737      5.0e-01      1.6e-01
iter: 1911  21:59:06   -9.036255     0.000000    -9.036255      5.0e-01      7.7e-02
iter: 1912  21:59:45   -9.034741     0.000000    -9.034741      5.0e-01      1.6e-01
iter: 1913  22:00:25   -9.036258     0.000000    -9.036258      5.0e-01      7.8e-02
iter: 1914  22:01:04   -9.034749     0.000000    -9.034749      5.0e-01      1.6e-01
iter: 1915  22:01:44   -9.036278     0.000000    -9.036278      5.0e-01      7.8e-02
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iter: 1917  22:03:03   -9.036289     0.000000    -9.036289      5.0e-01      7.8e-02
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iter: 1919  22:04:22   -9.036296     0.000000    -9.036296      5.0e-01      7.8e-02
iter: 1920  22:05:01   -9.034776     0.000000    -9.034776      5.0e-01      1.6e-01
iter: 1921  22:05:41   -9.036296     0.000000    -9.036296      5.0e-01      7.9e-02
iter: 1922  22:06:20   -9.034783     0.000000    -9.034783      5.0e-01      1.6e-01
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iter: 1927  22:09:38   -9.036315     0.000000    -9.036315      5.0e-01      7.9e-02
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iter: 1931  22:12:16   -9.036339     0.000000    -9.036339      5.0e-01      8.0e-02
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iter: 1940  22:18:11   -9.034848     0.000000    -9.034848      5.0e-01      1.6e-01
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