iterations/neb0_image03_iter62_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209777095601E+04 0.20978E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.138751906614E+03 -0.22365E+04 -0.21458E+04 2160 0.262E+02
DAV: 3 -0.463660941581E+03 -0.32491E+03 -0.31916E+03 1896 0.108E+02
DAV: 4 -0.476819766399E+03 -0.13159E+02 -0.13114E+02 1968 0.229E+01
DAV: 5 -0.477269429584E+03 -0.44966E+00 -0.44946E+00 2112 0.377E+00 0.432E+01
DAV: 6 -0.453705144883E+03 0.23564E+02 -0.14824E+02 2024 0.319E+01 0.419E+01
DAV: 7 -0.453630246280E+03 0.74899E-01 -0.83073E+01 1808 0.146E+01 0.219E+01
DAV: 8 -0.447036737247E+03 0.65935E+01 -0.98011E+00 1856 0.879E+00 0.136E+01
DAV: 9 -0.447194952175E+03 -0.15821E+00 -0.23955E+01 2016 0.109E+01 0.119E+01
DAV: 10 -0.446378026691E+03 0.81693E+00 -0.33420E+00 1824 0.341E+00 0.109E+01
DAV: 11 -0.445489563871E+03 0.88846E+00 -0.59996E-01 1960 0.204E+00 0.913E+00
DAV: 12 -0.445430306416E+03 0.59257E-01 -0.81328E+00 2080 0.493E+00 0.117E+01
DAV: 13 -0.444382603039E+03 0.10477E+01 -0.13214E+00 2016 0.384E+00 0.553E+00
DAV: 14 -0.444201376028E+03 0.18123E+00 -0.26216E-01 1840 0.109E+00 0.216E+00
DAV: 15 -0.444187118941E+03 0.14257E-01 -0.66164E-02 1880 0.750E-01 0.942E-01
DAV: 16 -0.444222822091E+03 -0.35703E-01 -0.35083E-02 1984 0.535E-01 0.176E+00
DAV: 17 -0.444212889799E+03 0.99323E-02 -0.10626E-02 1848 0.302E-01 0.536E-01
DAV: 18 -0.444218869494E+03 -0.59797E-02 -0.32466E-03 2008 0.159E-01 0.708E-01
DAV: 19 -0.444217742858E+03 0.11266E-02 -0.40480E-03 1896 0.164E-01 0.146E-01
DAV: 20 -0.444220733672E+03 -0.29908E-02 -0.11160E-03 1928 0.907E-02 0.170E-01
DAV: 21 -0.444221344450E+03 -0.61078E-03 -0.44378E-04 1888 0.610E-02 0.140E-01
DAV: 22 -0.444221956115E+03 -0.61167E-03 -0.12022E-04 1840 0.303E-02 0.345E-02
DAV: 23 -0.444224437878E+03 -0.24818E-02 -0.65757E-04 1832 0.548E-02 0.439E-02
DAV: 24 -0.444224544115E+03 -0.10624E-03 -0.91598E-05 1880 0.216E-02 0.381E-02
DAV: 25 -0.444224760771E+03 -0.21666E-03 -0.25423E-05 1392 0.167E-02 0.408E-02
DAV: 26 -0.444225010641E+03 -0.24987E-03 -0.48739E-05 1712 0.202E-02 0.234E-02
DAV: 27 -0.444225086663E+03 -0.76022E-04 -0.15976E-05 1216 0.100E-02 0.183E-02
DAV: 28 -0.444225144183E+03 -0.57520E-04 -0.93510E-06 1184 0.842E-03 0.110E-02
DAV: 29 -0.444225172529E+03 -0.28347E-04 -0.38644E-06 960 0.630E-03 0.146E-02
DAV: 30 -0.444225193822E+03 -0.21293E-04 -0.28473E-06 1032 0.443E-03 0.389E-03
DAV: 31 -0.444225207141E+03 -0.13318E-04 -0.83895E-07 936 0.233E-03 0.398E-03
DAV: 32 -0.444225214929E+03 -0.77879E-05 -0.83085E-07 952 0.251E-03
1 F= -.44422521E+03 E0= -.44421477E+03 d E =-.313253E-01