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

User:   aes38@compute-30
Date:   Mon Jul 17 13:04:12 2023
Arch:   x86_64
Pid:    3007456
CWD:    /users/home/aes38/Rydberg/new/ammonia/pbe/fd/thirdext
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  13:04:31   -9.014002     0.000000    -9.014002      5.0e-01      2.8e+00
iter:   2  13:13:44   -9.022778     0.000000    -9.022778      5.0e-01      2.7e+00
iter:   3  13:18:14   -9.031179     0.000000    -9.031179      5.0e-01      2.7e+00
iter:   4  13:22:27   -9.038658     0.000000    -9.038658      5.0e-01      2.7e+00
iter:   5  13:26:21   -9.045097     0.000000    -9.045097      5.0e-01      2.7e+00
iter:   6  13:30:34   -9.049742     0.000000    -9.049742      5.0e-01      2.7e+00
iter:   7  13:34:49   -9.079922     0.000000    -9.079922      5.0e-01      2.6e+00
iter:   8  13:38:46   -9.182666     0.000000    -9.182666      5.0e-01      2.2e+00
iter:   9  13:42:44   -9.215346     0.000000    -9.215346      5.0e-01      1.9e+00
iter:  10  13:46:43   -9.235994     0.000000    -9.235994      5.0e-01      1.8e+00
iter:  11  13:50:41   -9.255373     0.000000    -9.255373      5.0e-01      1.7e+00
iter:  12  13:54:39   -9.311208     0.000000    -9.311208      5.0e-01      1.1e+00
