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

User:   aes38@compute-80
Date:   Mon Jul 17 14:03:14 2023
Arch:   x86_64
Pid:    314506
CWD:    /users/home/aes38/Rydberg/new/ethylene/complex/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  14:03:17  -22.659686     0.000000   -22.659686      5.0e-01      1.4e+00
iter:   2  14:10:48  -22.837835     0.000000   -22.837835      5.0e-01      1.2e+00
iter:   3  14:12:42  -22.910655     0.000000   -22.910655      5.0e-01      1.1e+00
iter:   4  14:14:30  -23.084559     0.000000   -23.084559      5.0e-01      5.1e-01
iter:   5  14:16:25  -23.123410     0.000000   -23.123410      5.0e-01      3.6e-01
iter:   6  14:18:20  -23.148279     0.000000   -23.148279      5.0e-01      2.3e-01
