iterations/neb0_image03_iter41_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 0.209911316769E+04 0.20991E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.138926710093E+03 -0.22380E+04 -0.21481E+04 2160 0.262E+02
DAV: 3 -0.463869605543E+03 -0.32494E+03 -0.31931E+03 1928 0.108E+02
DAV: 4 -0.476775109663E+03 -0.12906E+02 -0.12859E+02 1936 0.227E+01
DAV: 5 -0.477250829128E+03 -0.47572E+00 -0.47548E+00 2152 0.382E+00 0.433E+01
DAV: 6 -0.453196603476E+03 0.24054E+02 -0.14744E+02 2024 0.318E+01 0.423E+01
DAV: 7 -0.453690277304E+03 -0.49367E+00 -0.83482E+01 1808 0.146E+01 0.219E+01
DAV: 8 -0.447240717802E+03 0.64496E+01 -0.99130E+00 1848 0.843E+00 0.137E+01
DAV: 9 -0.446947084567E+03 0.29363E+00 -0.21156E+01 2016 0.107E+01 0.120E+01
DAV: 10 -0.446101732265E+03 0.84535E+00 -0.35742E+00 1824 0.339E+00 0.107E+01
DAV: 11 -0.445495402781E+03 0.60633E+00 -0.37592E-01 1968 0.189E+00 0.952E+00
DAV: 12 -0.444666776509E+03 0.82863E+00 -0.39080E+00 2032 0.443E+00 0.112E+01
DAV: 13 -0.444456246140E+03 0.21053E+00 -0.65445E+00 1960 0.351E+00 0.585E+00
DAV: 14 -0.444100053915E+03 0.35619E+00 -0.26589E-01 1816 0.121E+00 0.236E+00
DAV: 15 -0.444075623438E+03 0.24430E-01 -0.20134E-01 1920 0.743E-01 0.121E+00
DAV: 16 -0.444119785092E+03 -0.44162E-01 -0.25585E-02 1904 0.478E-01 0.213E+00
DAV: 17 -0.444095670408E+03 0.24115E-01 -0.11404E-02 2000 0.378E-01 0.550E-01
DAV: 18 -0.444107222143E+03 -0.11552E-01 -0.45957E-03 1936 0.155E-01 0.760E-01
DAV: 19 -0.444107151685E+03 0.70458E-04 -0.27242E-03 1928 0.141E-01 0.444E-01
DAV: 20 -0.444110823601E+03 -0.36719E-02 -0.12382E-03 1832 0.110E-01 0.253E-01
DAV: 21 -0.444111120910E+03 -0.29731E-03 -0.46957E-04 1872 0.567E-02 0.260E-01
DAV: 22 -0.444111695801E+03 -0.57489E-03 -0.27900E-04 2016 0.529E-02 0.759E-02
DAV: 23 -0.444113615869E+03 -0.19201E-02 -0.32481E-04 1848 0.468E-02 0.742E-02
DAV: 24 -0.444114448494E+03 -0.83262E-03 -0.12029E-04 1896 0.275E-02 0.194E-01
DAV: 25 -0.444114353927E+03 0.94567E-04 -0.57405E-05 1712 0.219E-02 0.139E-01
DAV: 26 -0.444114457187E+03 -0.10326E-03 -0.50167E-05 1728 0.204E-02 0.782E-02
DAV: 27 -0.444114614311E+03 -0.15712E-03 -0.16853E-05 1336 0.120E-02 0.321E-02
DAV: 28 -0.444114702699E+03 -0.88388E-04 -0.51640E-06 1008 0.730E-03 0.104E-02
DAV: 29 -0.444114758710E+03 -0.56011E-04 -0.59567E-06 1112 0.708E-03 0.332E-02
DAV: 30 -0.444114770612E+03 -0.11901E-04 -0.17839E-06 1024 0.405E-03 0.827E-03
DAV: 31 -0.444114788971E+03 -0.18359E-04 -0.13233E-06 936 0.253E-03 0.188E-03
DAV: 32 -0.444114798716E+03 -0.97447E-05 -0.39718E-07 952 0.162E-03
1 F= -.44411480E+03 E0= -.44410324E+03 d E =-.346780E-01