iterations/neb0_image03_iter182_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 0.364405693331E+03 0.36441E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.176370522377E+00 -0.36423E+03 -0.35413E+03 858 0.195E+02
DAV: 3 -0.961245184040E+02 -0.96301E+02 -0.95990E+02 680 0.115E+02
DAV: 4 -0.100266523920E+03 -0.41420E+01 -0.41307E+01 720 0.270E+01
DAV: 5 -0.100348009332E+03 -0.81485E-01 -0.81450E-01 736 0.339E+00 0.222E+01
DAV: 6 -0.917236500060E+02 0.86244E+01 -0.30974E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908787060945E+02 0.84494E+00 -0.17999E+00 720 0.634E+00 0.484E+00
DAV: 8 -0.904821886367E+02 0.39652E+00 -0.55758E-01 704 0.428E+00 0.169E+00
DAV: 9 -0.903850469381E+02 0.97142E-01 -0.12854E-01 712 0.185E+00 0.444E-01
DAV: 10 -0.903770307247E+02 0.80162E-02 -0.49714E-02 720 0.121E+00 0.349E-01
DAV: 11 -0.903807774570E+02 -0.37467E-02 -0.11794E-02 616 0.729E-01 0.134E-01
DAV: 12 -0.903828860065E+02 -0.21085E-02 -0.54565E-03 632 0.385E-01 0.129E-01
DAV: 13 -0.903869040386E+02 -0.40180E-02 -0.40377E-03 784 0.474E-01 0.878E-02
DAV: 14 -0.903901803314E+02 -0.32763E-02 -0.11959E-03 669 0.202E-01 0.676E-02
DAV: 15 -0.903921312776E+02 -0.19509E-02 -0.43237E-04 664 0.108E-01 0.281E-02
DAV: 16 -0.903943857737E+02 -0.22545E-02 -0.43397E-04 650 0.107E-01 0.268E-02
DAV: 17 -0.903948514779E+02 -0.46570E-03 -0.38753E-05 656 0.587E-02 0.157E-02
DAV: 18 -0.903956391164E+02 -0.78764E-03 -0.24091E-04 673 0.942E-02 0.178E-02
DAV: 19 -0.903957719998E+02 -0.13288E-03 -0.31595E-05 680 0.430E-02 0.935E-03
DAV: 20 -0.903958581772E+02 -0.86177E-04 -0.34845E-05 565 0.312E-02 0.434E-03
DAV: 21 -0.903959360381E+02 -0.77861E-04 -0.86029E-06 428 0.126E-02 0.453E-03
DAV: 22 -0.903959538550E+02 -0.17817E-04 -0.32389E-06 496 0.894E-03 0.311E-03
DAV: 23 -0.903959640598E+02 -0.10205E-04 -0.84357E-06 440 0.212E-02 0.376E-03
DAV: 24 -0.903959653838E+02 -0.13241E-05 -0.21551E-06 512 0.946E-03
1 F= -.90395965E+02 E0= -.90402090E+02 d E =0.183740E-01