./iterations/neb0_image09_iter127_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.374367416797E+03 0.37437E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.245173073844E+01 -0.37192E+03 -0.35961E+03 877 0.196E+02
DAV: 3 -0.966859638787E+02 -0.99138E+02 -0.98801E+02 656 0.117E+02
DAV: 4 -0.101223441947E+03 -0.45375E+01 -0.45279E+01 704 0.289E+01
DAV: 5 -0.101313039156E+03 -0.89597E-01 -0.89558E-01 736 0.367E+00 0.227E+01
DAV: 6 -0.926670362016E+02 0.86460E+01 -0.30875E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918042263526E+02 0.86281E+00 -0.17090E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.914283284688E+02 0.37590E+00 -0.54309E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913461190753E+02 0.82209E-01 -0.13079E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913373616641E+02 0.87574E-02 -0.45551E-02 784 0.111E+00 0.303E-01
DAV: 11 -0.913418017653E+02 -0.44401E-02 -0.12991E-02 624 0.594E-01 0.143E-01
DAV: 12 -0.913447063678E+02 -0.29046E-02 -0.29186E-03 629 0.243E-01 0.109E-01
DAV: 13 -0.913485367264E+02 -0.38304E-02 -0.14780E-03 677 0.206E-01 0.444E-02
DAV: 14 -0.913519927561E+02 -0.34560E-02 -0.64724E-04 672 0.144E-01 0.336E-02
DAV: 15 -0.913532343238E+02 -0.12416E-02 -0.12759E-04 696 0.731E-02 0.330E-02
DAV: 16 -0.913546418368E+02 -0.14075E-02 -0.35408E-04 641 0.965E-02 0.194E-02
DAV: 17 -0.913549599578E+02 -0.31812E-03 -0.55284E-05 688 0.556E-02 0.118E-02
DAV: 18 -0.913552005573E+02 -0.24060E-03 -0.45430E-05 562 0.317E-02 0.111E-02
DAV: 19 -0.913552929192E+02 -0.92362E-04 -0.10586E-05 480 0.183E-02 0.550E-03
DAV: 20 -0.913553255446E+02 -0.32625E-04 -0.10348E-05 448 0.204E-02 0.220E-03
DAV: 21 -0.913553452658E+02 -0.19721E-04 -0.46633E-06 439 0.107E-02 0.310E-03
DAV: 22 -0.913553489480E+02 -0.36823E-05 -0.73984E-07 496 0.444E-03
1 F= -.91355349E+02 E0= -.91360110E+02 d E =0.142837E-01