./iterations/neb0_image03_iter11_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 0.363883832512E+03 0.36388E+03 -0.14239E+04 624 0.799E+02
DAV: 2 0.480335094702E+01 -0.35908E+03 -0.34626E+03 845 0.194E+02
DAV: 3 -0.939032368660E+02 -0.98707E+02 -0.98305E+02 672 0.115E+02
DAV: 4 -0.985739267741E+02 -0.46707E+01 -0.46570E+01 728 0.285E+01
DAV: 5 -0.986743770453E+02 -0.10045E+00 -0.10040E+00 728 0.368E+00 0.219E+01
DAV: 6 -0.900697909389E+02 0.86046E+01 -0.30999E+01 712 0.297E+01 0.113E+01
DAV: 7 -0.892806572993E+02 0.78913E+00 -0.17663E+00 736 0.668E+00 0.482E+00
DAV: 8 -0.888962547807E+02 0.38440E+00 -0.62917E-01 704 0.465E+00 0.169E+00
DAV: 9 -0.888100735212E+02 0.86181E-01 -0.13764E-01 720 0.175E+00 0.465E-01
DAV: 10 -0.888024134112E+02 0.76601E-02 -0.30896E-02 720 0.884E-01 0.317E-01
DAV: 11 -0.888052448730E+02 -0.28315E-02 -0.71022E-03 701 0.520E-01 0.124E-01
DAV: 12 -0.888072829355E+02 -0.20381E-02 -0.21671E-03 636 0.259E-01 0.104E-01
DAV: 13 -0.888111717156E+02 -0.38888E-02 -0.18650E-03 698 0.273E-01 0.738E-02
DAV: 14 -0.888137147484E+02 -0.25430E-02 -0.64928E-04 664 0.136E-01 0.571E-02
DAV: 15 -0.888165362431E+02 -0.28215E-02 -0.97534E-04 735 0.218E-01 0.385E-02
DAV: 16 -0.888175213544E+02 -0.98511E-03 -0.16548E-04 760 0.917E-02 0.245E-02
DAV: 17 -0.888188016969E+02 -0.12803E-02 -0.38079E-04 716 0.107E-01 0.216E-02
DAV: 18 -0.888191774193E+02 -0.37572E-03 -0.64201E-05 744 0.605E-02 0.767E-03
DAV: 19 -0.888193410246E+02 -0.16361E-03 -0.41057E-05 616 0.302E-02 0.558E-03
DAV: 20 -0.888194325339E+02 -0.91509E-04 -0.67466E-06 453 0.129E-02 0.344E-03
DAV: 21 -0.888194718371E+02 -0.39303E-04 -0.66627E-06 488 0.126E-02 0.204E-03
DAV: 22 -0.888194861207E+02 -0.14284E-04 -0.31486E-06 472 0.103E-02 0.184E-03
DAV: 23 -0.888194913843E+02 -0.52636E-05 -0.10229E-06 464 0.417E-03
1 F= -.88819491E+02 E0= -.88830218E+02 d E =0.321791E-01