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

User:   aes38@compute-79
Date:   Fri Jul 14 16:17:58 2023
Arch:   x86_64
Pid:    1365460
CWD:    /users/home/aes38/Rydberg/new/formaldehyde/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:  15  16:58:28   -9.297319     0.000000    -9.297319      5.0e-01      7.0e-01
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iter:  63  18:15:59   -9.308844     0.000000    -9.308844      5.0e-01      8.7e-02
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iter:  67  18:22:51   -9.260199     0.000000    -9.260199      5.0e-01      4.0e-01
iter:  68  18:25:55   -9.261883     0.000000    -9.261883      5.0e-01      3.8e-01
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