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User:   aes38@compute-87
Date:   Fri Jul 14 16:20:25 2023
Arch:   x86_64
Pid:    655087
CWD:    /users/home/aes38/Rydberg/new/water/pbe/fd/secondext
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: 1874  09:34:39   -3.154791     0.000000    -3.154791      5.0e-01      2.9e-01
iter: 1875  09:34:59   -3.155385     0.000000    -3.155385      5.0e-01      3.3e-01
iter: 1876  09:35:19   -3.161336     0.000000    -3.161336      5.0e-01      2.7e-01
iter: 1877  09:35:39   -3.159231     0.000000    -3.159231      5.0e-01      3.2e-01
iter: 1878  09:35:59   -3.154906     0.000000    -3.154906      5.0e-01      2.6e-01
iter: 1879  09:36:19   -3.150949     0.000000    -3.150949      5.0e-01      2.6e-01
iter: 1880  09:36:39   -3.159466     0.000000    -3.159466      5.0e-01      2.8e-01
iter: 1881  09:36:59   -3.163810     0.000000    -3.163810      5.0e-01      2.3e-01
iter: 1882  09:37:19   -3.156447     0.000000    -3.156447      5.0e-01      2.9e-01
iter: 1883  09:37:39   -3.152903     0.000000    -3.152903      5.0e-01      2.9e-01
iter: 1884  09:37:59   -3.151627     0.000000    -3.151627      5.0e-01      2.8e-01
iter: 1885  09:38:19   -3.160350     0.000000    -3.160350      5.0e-01      2.4e-01
iter: 1886  09:38:39   -3.159945     0.000000    -3.159945      5.0e-01      2.3e-01
iter: 1887  09:38:59   -3.153672     0.000000    -3.153672      5.0e-01      2.6e-01
iter: 1888  09:39:19   -3.150745     0.000000    -3.150745      5.0e-01      3.0e-01
iter: 1889  09:39:39   -3.158223     0.000000    -3.158223      5.0e-01      2.8e-01
iter: 1890  09:39:59   -3.163253     0.000000    -3.163253      5.0e-01      2.5e-01
iter: 1891  09:40:19   -3.155098     0.000000    -3.155098      5.0e-01      2.6e-01
iter: 1892  09:40:39   -3.150895     0.000000    -3.150895      5.0e-01      2.3e-01
iter: 1893  09:40:59   -3.152070     0.000000    -3.152070      5.0e-01      2.4e-01
iter: 1894  09:41:19   -3.162340     0.000000    -3.162340      5.0e-01      2.3e-01
iter: 1895  09:41:39   -3.162136     0.000000    -3.162136      5.0e-01      2.2e-01
iter: 1896  09:41:59   -3.153005     0.000000    -3.153005      5.0e-01      2.7e-01
iter: 1897  09:42:19   -3.150932     0.000000    -3.150932      5.0e-01      3.4e-01
iter: 1898  09:42:40   -3.157490     0.000000    -3.157490      5.0e-01      2.4e-01
iter: 1899  09:43:00   -3.162338     0.000000    -3.162338      5.0e-01      2.4e-01
iter: 1900  09:43:20   -3.154857     0.000000    -3.154857      5.0e-01      2.7e-01
iter: 1901  09:43:40   -3.152847     0.000000    -3.152847      5.0e-01      2.5e-01
iter: 1902  09:44:00   -3.152087     0.000000    -3.152087      5.0e-01      2.4e-01
iter: 1903  09:44:20   -3.160253     0.000000    -3.160253      5.0e-01      3.1e-01
iter: 1904  09:44:40   -3.161863     0.000000    -3.161863      5.0e-01      2.3e-01
iter: 1905  09:45:00   -3.152976     0.000000    -3.152976      5.0e-01      3.3e-01
iter: 1906  09:45:20   -3.152155     0.000000    -3.152155      5.0e-01      3.0e-01
iter: 1907  09:45:40   -3.155763     0.000000    -3.155763      5.0e-01      2.7e-01
iter: 1908  09:46:00   -3.159943     0.000000    -3.159943      5.0e-01      2.6e-01
iter: 1909  09:46:20   -3.156406     0.000000    -3.156406      5.0e-01      2.9e-01
iter: 1910  09:46:40   -3.155664     0.000000    -3.155664      5.0e-01      2.5e-01
iter: 1911  09:47:00   -3.151737     0.000000    -3.151737      5.0e-01      2.8e-01
iter: 1912  09:47:20   -3.158381     0.000000    -3.158381      5.0e-01      3.5e-01
iter: 1913  09:47:40   -3.158354     0.000000    -3.158354      5.0e-01      2.6e-01
iter: 1914  09:48:00   -3.155587     0.000000    -3.155587      5.0e-01      3.2e-01
iter: 1915  09:48:20   -3.155074     0.000000    -3.155074      5.0e-01      2.9e-01
iter: 1916  09:48:40   -3.154581     0.000000    -3.154581      5.0e-01      2.5e-01
iter: 1917  09:49:00   -3.157614     0.000000    -3.157614      5.0e-01      3.1e-01
iter: 1918  09:49:20   -3.155158     0.000000    -3.155158      5.0e-01      3.1e-01
iter: 1919  09:49:40   -3.155933     0.000000    -3.155933      5.0e-01      2.5e-01
iter: 1920  09:50:00   -3.151799     0.000000    -3.151799      5.0e-01      3.0e-01
iter: 1921  09:50:20   -3.156787     0.000000    -3.156787      5.0e-01      3.6e-01
iter: 1922  09:50:40   -3.157757     0.000000    -3.157757      5.0e-01      2.7e-01
iter: 1923  09:51:00   -3.157538     0.000000    -3.157538      5.0e-01      2.7e-01
iter: 1924  09:51:20   -3.152740     0.000000    -3.152740      5.0e-01      3.1e-01
iter: 1925  09:51:40   -3.153767     0.000000    -3.153767      5.0e-01      2.5e-01
iter: 1926  09:52:00   -3.156625     0.000000    -3.156625      5.0e-01      3.0e-01
iter: 1927  09:52:20   -3.157175     0.000000    -3.157175      5.0e-01      3.0e-01
iter: 1928  09:52:40   -3.158524     0.000000    -3.158524      5.0e-01      2.4e-01
iter: 1929  09:53:01   -3.150789     0.000000    -3.150789      5.0e-01      3.2e-01
iter: 1930  09:53:21   -3.154962     0.000000    -3.154962      5.0e-01      3.7e-01
iter: 1931  09:53:41   -3.156613     0.000000    -3.156613      5.0e-01      2.7e-01
iter: 1932  09:54:01   -3.158932     0.000000    -3.158932      5.0e-01      2.2e-01
iter: 1933  09:54:21   -3.153851     0.000000    -3.153851      5.0e-01      3.3e-01
iter: 1934  09:54:41   -3.153893     0.000000    -3.153893      5.0e-01      2.5e-01
iter: 1935  09:55:01   -3.155202     0.000000    -3.155202      5.0e-01      2.8e-01
iter: 1936  09:55:21   -3.157753     0.000000    -3.157753      5.0e-01      2.8e-01
iter: 1937  09:55:41   -3.158246     0.000000    -3.158246      5.0e-01      2.5e-01
iter: 1938  09:56:01   -3.151177     0.000000    -3.151177      5.0e-01      3.4e-01
iter: 1939  09:56:21   -3.154822     0.000000    -3.154822      5.0e-01      3.3e-01
iter: 1940  09:56:41   -3.156915     0.000000    -3.156915      5.0e-01      2.7e-01
iter: 1941  09:57:05   -3.160122     0.000000    -3.160122      5.0e-01      2.2e-01
iter: 1942  09:57:25   -3.152790     0.000000    -3.152790      5.0e-01      3.5e-01
iter: 1943  09:57:45   -3.153474     0.000000    -3.153474      5.0e-01      2.6e-01
iter: 1944  09:58:05   -3.154120     0.000000    -3.154120      5.0e-01      2.5e-01
iter: 1945  09:58:25   -3.159638     0.000000    -3.159638      5.0e-01      2.5e-01
iter: 1946  09:58:45   -3.160424     0.000000    -3.160424      5.0e-01      2.3e-01
iter: 1947  09:59:05   -3.151860     0.000000    -3.151860      5.0e-01      3.4e-01
iter: 1948  09:59:25   -3.152178     0.000000    -3.152178      5.0e-01      2.8e-01
iter: 1949  09:59:45   -3.156462     0.000000    -3.156462      5.0e-01      2.8e-01
iter: 1950  10:00:05   -3.161248     0.000000    -3.161248      5.0e-01      2.0e-01
iter: 1951  10:00:25   -3.155056     0.000000    -3.155056      5.0e-01      3.5e-01
iter: 1952  10:00:45   -3.154828     0.000000    -3.154828      5.0e-01      2.5e-01
iter: 1953  10:01:05   -3.152651     0.000000    -3.152651      5.0e-01      2.5e-01
iter: 1954  10:01:26   -3.160423     0.000000    -3.160423      5.0e-01      2.1e-01
iter: 1955  10:01:46   -3.160793     0.000000    -3.160793      5.0e-01      2.3e-01
iter: 1956  10:02:06   -3.154162     0.000000    -3.154162      5.0e-01      3.5e-01
iter: 1957  10:02:26   -3.153193     0.000000    -3.153193      5.0e-01      2.6e-01
iter: 1958  10:02:46   -3.156181     0.000000    -3.156181      5.0e-01      2.7e-01
iter: 1959  10:03:06   -3.161292     0.000000    -3.161292      5.0e-01      2.2e-01
iter: 1960  10:03:26   -3.155867     0.000000    -3.155867      5.0e-01      3.3e-01
iter: 1961  10:03:47   -3.154691     0.000000    -3.154691      5.0e-01      2.5e-01
iter: 1962  10:04:07   -3.152297     0.000000    -3.152297      5.0e-01      2.4e-01
iter: 1963  10:04:27   -3.158916     0.000000    -3.158916      5.0e-01      2.8e-01
iter: 1964  10:04:47   -3.159844     0.000000    -3.159844      5.0e-01      2.5e-01
iter: 1965  10:05:07   -3.155169     0.000000    -3.155169      5.0e-01      3.4e-01
iter: 1966  10:05:27   -3.151226     0.000000    -3.151226      5.0e-01      3.4e-01
iter: 1967  10:05:47   -3.155745     0.000000    -3.155745      5.0e-01      2.8e-01
iter: 1968  10:06:08   -3.159138     0.000000    -3.159138      5.0e-01      3.1e-01
iter: 1969  10:06:28   -3.156785     0.000000    -3.156785      5.0e-01      2.9e-01
iter: 1970  10:06:48   -3.156089     0.000000    -3.156089      5.0e-01      2.4e-01
iter: 1971  10:07:08   -3.151536     0.000000    -3.151536      5.0e-01      2.9e-01
iter: 1972  10:07:28   -3.159024     0.000000    -3.159024      5.0e-01      2.8e-01
iter: 1973  10:07:48   -3.157757     0.000000    -3.157757      5.0e-01      2.5e-01
iter: 1974  10:08:08   -3.156697     0.000000    -3.156697      5.0e-01      3.0e-01
iter: 1975  10:08:29   -3.153215     0.000000    -3.153215      5.0e-01      3.6e-01
iter: 1976  10:08:49   -3.156644     0.000000    -3.156644      5.0e-01      2.8e-01
iter: 1977  10:09:09   -3.159525     0.000000    -3.159525      5.0e-01      3.5e-01
iter: 1978  10:09:29   -3.156473     0.000000    -3.156473      5.0e-01      2.7e-01
iter: 1979  10:09:49   -3.154016     0.000000    -3.154016      5.0e-01      2.4e-01
iter: 1980  10:10:09   -3.153146     0.000000    -3.153146      5.0e-01      3.1e-01
iter: 1981  10:10:29   -3.160379     0.000000    -3.160379      5.0e-01      2.4e-01
iter: 1982  10:10:49   -3.158550     0.000000    -3.158550      5.0e-01      2.5e-01
iter: 1983  10:11:10   -3.158060     0.000000    -3.158060      5.0e-01      2.9e-01
iter: 1984  10:11:30   -3.150690     0.000000    -3.150690      5.0e-01      3.7e-01
iter: 1985  10:11:50   -3.156097     0.000000    -3.156097      5.0e-01      2.9e-01
iter: 1986  10:12:10   -3.159843     0.000000    -3.159843      5.0e-01      3.4e-01
iter: 1987  10:12:30   -3.157388     0.000000    -3.157388      5.0e-01      2.3e-01
iter: 1988  10:12:50   -3.155163     0.000000    -3.155163      5.0e-01      2.6e-01
iter: 1989  10:13:10   -3.154011     0.000000    -3.154011      5.0e-01      3.2e-01
iter: 1990  10:13:30   -3.159391     0.000000    -3.159391      5.0e-01      2.2e-01
iter: 1991  10:13:51   -3.158531     0.000000    -3.158531      5.0e-01      2.5e-01
iter: 1992  10:14:11   -3.156372     0.000000    -3.156372      5.0e-01      3.0e-01
iter: 1993  10:14:31   -3.152295     0.000000    -3.152295      5.0e-01      3.5e-01
iter: 1994  10:14:51   -3.158688     0.000000    -3.158688      5.0e-01      2.9e-01
iter: 1995  10:15:11   -3.159273     0.000000    -3.159273      5.0e-01      3.2e-01
iter: 1996  10:15:31   -3.156822     0.000000    -3.156822      5.0e-01      2.5e-01
iter: 1997  10:15:51   -3.152605     0.000000    -3.152605      5.0e-01      2.9e-01
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iter: 1999  10:16:32   -3.162365     0.000000    -3.162365      5.0e-01      2.3e-01
iter: 2000  10:16:52   -3.157373     0.000000    -3.157373      5.0e-01      2.8e-01
iter: 2001  10:17:12   -3.154815     0.000000    -3.154815      5.0e-01      3.0e-01
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iter: 2003  10:17:52   -3.158760     0.000000    -3.158760      5.0e-01      2.5e-01
iter: 2004  10:18:12   -3.159540     0.000000    -3.159540      5.0e-01      2.2e-01
iter: 2005  10:18:33   -3.155557     0.000000    -3.155557      5.0e-01      2.6e-01
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iter: 2008  10:19:33   -3.161392     0.000000    -3.161392      5.0e-01      2.4e-01
iter: 2009  10:19:53   -3.157060     0.000000    -3.157060      5.0e-01      2.7e-01
iter: 2010  10:20:13   -3.152558     0.000000    -3.152558      5.0e-01      2.4e-01
iter: 2011  10:20:33   -3.151778     0.000000    -3.151778      5.0e-01      2.6e-01
iter: 2012  10:20:54   -3.160197     0.000000    -3.160197      5.0e-01      2.1e-01
iter: 2013  10:21:14   -3.160208     0.000000    -3.160208      5.0e-01      2.2e-01
iter: 2014  10:21:34   -3.155548     0.000000    -3.155548      5.0e-01      2.6e-01
iter: 2015  10:21:54   -3.150436     0.000000    -3.150436      5.0e-01      3.3e-01
iter: 2016  10:22:14   -3.157327     0.000000    -3.157327      5.0e-01      2.8e-01
iter: 2017  10:22:34   -3.161848     0.000000    -3.161848      5.0e-01      2.4e-01
iter: 2018  10:22:54   -3.155971     0.000000    -3.155971      5.0e-01      2.9e-01
iter: 2019  10:23:15   -3.153398     0.000000    -3.153398      5.0e-01      2.8e-01
iter: 2020  10:23:35   -3.152326     0.000000    -3.152326      5.0e-01      2.4e-01
iter: 2021  10:23:55   -3.159056     0.000000    -3.159056      5.0e-01      2.6e-01
iter: 2022  10:24:15   -3.159638     0.000000    -3.159638      5.0e-01      2.2e-01
iter: 2023  10:24:35   -3.155124     0.000000    -3.155124      5.0e-01      2.7e-01
iter: 2024  10:24:55   -3.151875     0.000000    -3.151875      5.0e-01      3.9e-01
iter: 2025  10:25:15   -3.156789     0.000000    -3.156789      5.0e-01      2.5e-01
iter: 2026  10:25:35   -3.159396     0.000000    -3.159396      5.0e-01      2.7e-01
iter: 2027  10:25:56   -3.155884     0.000000    -3.155884      5.0e-01      2.7e-01
iter: 2028  10:26:16   -3.155310     0.000000    -3.155310      5.0e-01      2.8e-01
iter: 2029  10:26:36   -3.153759     0.000000    -3.153759      5.0e-01      2.4e-01
iter: 2030  10:26:56   -3.156698     0.000000    -3.156698      5.0e-01      3.3e-01
iter: 2031  10:27:16   -3.156671     0.000000    -3.156671      5.0e-01      2.4e-01
iter: 2032  10:27:36   -3.155247     0.000000    -3.155247      5.0e-01      2.8e-01
iter: 2033  10:27:56   -3.153685     0.000000    -3.153685      5.0e-01      3.3e-01
iter: 2034  10:28:16   -3.154161     0.000000    -3.154161      5.0e-01      3.0e-01
iter: 2035  10:28:37   -3.155838     0.000000    -3.155838      5.0e-01      2.9e-01
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iter: 2037  10:29:17   -3.156372     0.000000    -3.156372      5.0e-01      2.9e-01
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iter: 2040  10:30:17   -3.155559     0.000000    -3.155559      5.0e-01      2.5e-01
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iter: 8595  23:32:58   -3.152707     0.000000    -3.152707      5.0e-01      3.0e-01
iter: 8596  23:33:19   -3.155268     0.000000    -3.155268      5.0e-01      2.6e-01
iter: 8597  23:33:39   -3.159446     0.000000    -3.159446      5.0e-01      2.5e-01
iter: 8598  23:34:00   -3.158331     0.000000    -3.158331      5.0e-01      2.2e-01
iter: 8599  23:34:20   -3.154794     0.000000    -3.154794      5.0e-01      2.7e-01
iter: 8600  23:34:41   -3.152698     0.000000    -3.152698      5.0e-01      3.1e-01
iter: 8601  23:35:01   -3.156727     0.000000    -3.156727      5.0e-01      2.6e-01
iter: 8602  23:35:22   -3.158581     0.000000    -3.158581      5.0e-01      2.8e-01
iter: 8603  23:35:42   -3.155734     0.000000    -3.155734      5.0e-01      2.8e-01
iter: 8604  23:36:03   -3.154588     0.000000    -3.154588      5.0e-01      3.1e-01
iter: 8605  23:36:23   -3.153776     0.000000    -3.153776      5.0e-01      2.4e-01
iter: 8606  23:36:44   -3.155608     0.000000    -3.155608      5.0e-01      2.6e-01
iter: 8607  23:37:04   -3.155743     0.000000    -3.155743      5.0e-01      2.4e-01
iter: 8608  23:37:25   -3.155188     0.000000    -3.155188      5.0e-01      2.7e-01
iter: 8609  23:37:45   -3.153299     0.000000    -3.153299      5.0e-01      2.9e-01
iter: 8610  23:38:06   -3.153895     0.000000    -3.153895      5.0e-01      3.0e-01
iter: 8611  23:38:26   -3.156245     0.000000    -3.156245      5.0e-01      2.8e-01
iter: 8612  23:38:47   -3.155438     0.000000    -3.155438      5.0e-01      2.6e-01
iter: 8613  23:39:07   -3.155714     0.000000    -3.155714      5.0e-01      3.3e-01
iter: 8614  23:39:28   -3.153454     0.000000    -3.153454      5.0e-01      2.4e-01
iter: 8615  23:39:48   -3.153781     0.000000    -3.153781      5.0e-01      2.7e-01
iter: 8616  23:40:09   -3.156620     0.000000    -3.156620      5.0e-01      2.7e-01
iter: 8617  23:40:29   -3.157722     0.000000    -3.157722      5.0e-01      2.4e-01
iter: 8618  23:40:50   -3.153328     0.000000    -3.153328      5.0e-01      2.6e-01
