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

User:   aes38@compute-30
Date:   Mon Jul 17 13:04:09 2023
Arch:   x86_64
Pid:    3007465
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

iter:   1  13:04:28   -8.669920     0.000000    -8.669920      5.0e-01      2.8e+00
iter:   2  13:21:34   -8.923143     0.000000    -8.923143      5.0e-01      1.8e+00
iter:   3  13:26:10   -8.984432     0.000000    -8.984432      5.0e-01      1.2e+00
iter:   4  13:30:08   -9.024150     0.000000    -9.024150      5.0e-01      6.2e-01
iter:   5  13:35:39   -9.037282     0.000000    -9.037282      5.0e-01      2.9e-01
iter:   6  13:39:59   -9.032701     0.000000    -9.032701      5.0e-01      6.6e-01
iter:   7  13:44:17   -9.035603     0.000000    -9.035603      5.0e-01      3.0e-01
iter:   8  13:47:59   -9.036671     0.000000    -9.036671      5.0e-01      2.6e-01
iter:   9  13:52:17   -9.038547     0.000000    -9.038547      5.0e-01      3.1e-01
iter:  10  13:56:18   -9.038443     0.000000    -9.038443      5.0e-01      1.4e-01
iter:  11  13:59:59   -9.036784     0.000000    -9.036784      5.0e-01      2.8e-01
iter:  12  14:03:24   -9.037913     0.000000    -9.037913      5.0e-01      1.4e-01
iter:  13  14:06:48   -9.035271     0.000000    -9.035271      5.0e-01      3.4e-01
iter:  14  14:11:05   -9.038557     0.000000    -9.038557      5.0e-01      1.7e-01
iter:  15  14:15:03   -9.041781     0.000000    -9.041781      5.0e-01      6.9e-02
