iterations/neb0_image03_iter190_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 0.364032492737E+03 0.36403E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.141320596726E-01 -0.36402E+03 -0.35402E+03 858 0.195E+02
DAV: 3 -0.960861637038E+02 -0.96100E+02 -0.95793E+02 666 0.115E+02
DAV: 4 -0.100268421545E+03 -0.41823E+01 -0.41707E+01 712 0.273E+01
DAV: 5 -0.100350642828E+03 -0.82221E-01 -0.82184E-01 736 0.345E+00 0.222E+01
DAV: 6 -0.917188523053E+02 0.86318E+01 -0.30995E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908808537178E+02 0.83800E+00 -0.18370E+00 704 0.639E+00 0.484E+00
DAV: 8 -0.904853099399E+02 0.39554E+00 -0.55827E-01 696 0.429E+00 0.170E+00
DAV: 9 -0.903880740727E+02 0.97236E-01 -0.12803E-01 712 0.191E+00 0.450E-01
DAV: 10 -0.903801148629E+02 0.79592E-02 -0.53470E-02 712 0.128E+00 0.359E-01
DAV: 11 -0.903837993267E+02 -0.36845E-02 -0.13011E-02 616 0.764E-01 0.139E-01
DAV: 12 -0.903858942526E+02 -0.20949E-02 -0.65481E-03 629 0.413E-01 0.138E-01
DAV: 13 -0.903892378059E+02 -0.33436E-02 -0.42504E-03 754 0.494E-01 0.852E-02
DAV: 14 -0.903929965033E+02 -0.37587E-02 -0.16750E-03 669 0.260E-01 0.742E-02
DAV: 15 -0.903948188487E+02 -0.18223E-02 -0.32748E-04 672 0.965E-02 0.430E-02
DAV: 16 -0.903970722885E+02 -0.22534E-02 -0.75301E-04 656 0.152E-01 0.307E-02
DAV: 17 -0.903975579911E+02 -0.48570E-03 -0.72756E-05 720 0.733E-02 0.215E-02
DAV: 18 -0.903982894073E+02 -0.73142E-03 -0.28021E-04 700 0.109E-01 0.191E-02
DAV: 19 -0.903985324876E+02 -0.24308E-03 -0.59039E-05 680 0.542E-02 0.632E-03
DAV: 20 -0.903986512549E+02 -0.11877E-03 -0.27949E-05 584 0.242E-02 0.395E-03
DAV: 21 -0.903987210986E+02 -0.69844E-04 -0.58748E-06 453 0.119E-02 0.260E-03
DAV: 22 -0.903987599397E+02 -0.38841E-04 -0.97756E-06 453 0.185E-02 0.199E-03
DAV: 23 -0.903987687917E+02 -0.88520E-05 -0.32078E-06 512 0.104E-02
1 F= -.90398769E+02 E0= -.90404293E+02 d E =0.165736E-01