iterations/neb0_image08_iter232_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 0.374092596102E+03 0.37409E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.277676426664E+01 -0.37132E+03 -0.35962E+03 877 0.196E+02
DAV: 3 -0.966740217916E+02 -0.99451E+02 -0.99145E+02 656 0.116E+02
DAV: 4 -0.101250562025E+03 -0.45765E+01 -0.45648E+01 720 0.290E+01
DAV: 5 -0.101340845919E+03 -0.90284E-01 -0.90236E-01 728 0.367E+00 0.227E+01
DAV: 6 -0.926551295282E+02 0.86857E+01 -0.30928E+01 714 0.299E+01 0.119E+01
DAV: 7 -0.917881851289E+02 0.86694E+00 -0.17269E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914126164303E+02 0.37557E+00 -0.54978E-01 712 0.397E+00 0.160E+00
DAV: 9 -0.913333728634E+02 0.79244E-01 -0.12933E-01 728 0.153E+00 0.418E-01
DAV: 10 -0.913254861448E+02 0.78867E-02 -0.44139E-02 744 0.106E+00 0.299E-01
DAV: 11 -0.913303566531E+02 -0.48705E-02 -0.12933E-02 608 0.589E-01 0.143E-01
DAV: 12 -0.913334026117E+02 -0.30460E-02 -0.28006E-03 631 0.224E-01 0.113E-01
DAV: 13 -0.913371814434E+02 -0.37788E-02 -0.25405E-03 655 0.266E-01 0.555E-02
DAV: 14 -0.913403053427E+02 -0.31239E-02 -0.75932E-04 661 0.154E-01 0.246E-02
DAV: 15 -0.913416336798E+02 -0.13283E-02 -0.13771E-04 672 0.626E-02 0.179E-02
DAV: 16 -0.913427653407E+02 -0.11317E-02 -0.16641E-04 641 0.693E-02 0.120E-02
DAV: 17 -0.913430220710E+02 -0.25673E-03 -0.18707E-05 504 0.300E-02 0.107E-02
DAV: 18 -0.913432223203E+02 -0.20025E-03 -0.45143E-05 618 0.374E-02 0.669E-03
DAV: 19 -0.913432829969E+02 -0.60677E-04 -0.65672E-06 504 0.207E-02 0.252E-03
DAV: 20 -0.913433142800E+02 -0.31283E-04 -0.73613E-06 415 0.126E-02 0.233E-03
DAV: 21 -0.913433245507E+02 -0.10271E-04 -0.15499E-06 461 0.503E-03 0.195E-03
DAV: 22 -0.913433264295E+02 -0.18788E-05 -0.70739E-07 509 0.614E-03
1 F= -.91343326E+02 E0= -.91348476E+02 d E =0.154496E-01