iterations/neb0_image04_iter42_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 0.208822138644E+04 0.20882E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.138340618929E+03 -0.22266E+04 -0.21332E+04 2112 0.262E+02
DAV: 3 -0.465293149713E+03 -0.32695E+03 -0.32345E+03 1864 0.108E+02
DAV: 4 -0.477864341147E+03 -0.12571E+02 -0.12520E+02 1968 0.225E+01
DAV: 5 -0.478331439022E+03 -0.46710E+00 -0.46687E+00 2152 0.379E+00 0.428E+01
DAV: 6 -0.447610107015E+03 0.30721E+02 -0.14726E+02 2064 0.322E+01 0.390E+01
DAV: 7 -0.454047946058E+03 -0.64378E+01 -0.28186E+02 1904 0.140E+01 0.207E+01
DAV: 8 -0.448213780692E+03 0.58342E+01 -0.89302E+00 1808 0.744E+00 0.130E+01
DAV: 9 -0.446115226789E+03 0.20986E+01 -0.25225E+01 2064 0.111E+01 0.934E+00
DAV: 10 -0.445203104288E+03 0.91212E+00 -0.39833E+00 1888 0.347E+00 0.988E+00
DAV: 11 -0.444670015518E+03 0.53309E+00 -0.47218E-01 1976 0.169E+00 0.738E+00
DAV: 12 -0.444750252280E+03 -0.80237E-01 -0.96107E+00 2224 0.402E+00 0.718E+00
DAV: 13 -0.444074864412E+03 0.67539E+00 -0.82282E-01 2000 0.319E+00 0.519E+00
DAV: 14 -0.443896680760E+03 0.17818E+00 -0.13813E+00 1896 0.124E+00 0.162E+00
DAV: 15 -0.443998814014E+03 -0.10213E+00 -0.49950E-01 2008 0.915E-01 0.542E+00
DAV: 16 -0.443877453480E+03 0.12136E+00 -0.13225E-01 1864 0.472E-01 0.393E+00
DAV: 17 -0.443849722698E+03 0.27731E-01 -0.27833E-01 2104 0.451E-01 0.167E+00
DAV: 18 -0.443890490252E+03 -0.40768E-01 -0.10637E-01 2088 0.451E-01 0.142E+00
DAV: 19 -0.443901198786E+03 -0.10709E-01 -0.16132E-02 1912 0.256E-01 0.872E-01
DAV: 20 -0.443902881612E+03 -0.16828E-02 -0.30203E-02 2192 0.248E-01 0.391E-01
DAV: 21 -0.443909405873E+03 -0.65243E-02 -0.49933E-03 1840 0.152E-01 0.414E-01
DAV: 22 -0.443910103165E+03 -0.69729E-03 -0.59763E-04 2104 0.674E-02 0.312E-01
DAV: 23 -0.443912127452E+03 -0.20243E-02 -0.30981E-03 1872 0.935E-02 0.115E-01
DAV: 24 -0.443913513641E+03 -0.13862E-02 -0.39115E-04 1856 0.439E-02 0.107E-01
DAV: 25 -0.443914303256E+03 -0.78962E-03 -0.69432E-04 1992 0.508E-02 0.109E-01
DAV: 26 -0.443914695547E+03 -0.39229E-03 -0.21868E-04 1840 0.265E-02 0.315E-02
DAV: 27 -0.443915042009E+03 -0.34646E-03 -0.66712E-05 1512 0.163E-02 0.450E-02
DAV: 28 -0.443915262062E+03 -0.22005E-03 -0.36311E-05 1504 0.128E-02 0.234E-02
DAV: 29 -0.443915318270E+03 -0.56207E-04 -0.90989E-06 1112 0.609E-03 0.362E-02
DAV: 30 -0.443915342236E+03 -0.23966E-04 -0.72166E-06 1040 0.603E-03 0.220E-02
DAV: 31 -0.443915370082E+03 -0.27846E-04 -0.24220E-05 1112 0.845E-03 0.157E-02
DAV: 32 -0.443915376095E+03 -0.60126E-05 -0.23126E-06 936 0.398E-03
1 F= -.44391538E+03 E0= -.44390207E+03 d E =-.399310E-01