iterations/neb0_image09_iter241_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 0.374198077392E+03 0.37420E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.331770035389E+01 -0.37088E+03 -0.35828E+03 869 0.196E+02
DAV: 3 -0.967546003156E+02 -0.10007E+03 -0.99743E+02 661 0.117E+02
DAV: 4 -0.101280957630E+03 -0.45264E+01 -0.45158E+01 720 0.287E+01
DAV: 5 -0.101369626148E+03 -0.88669E-01 -0.88630E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926827962226E+02 0.86868E+01 -0.30989E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918106695443E+02 0.87213E+00 -0.17167E+00 720 0.612E+00 0.480E+00
DAV: 8 -0.914344885905E+02 0.37618E+00 -0.54438E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913538408880E+02 0.80648E-01 -0.13255E-01 712 0.156E+00 0.422E-01
DAV: 10 -0.913458132504E+02 0.80276E-02 -0.43842E-02 768 0.108E+00 0.300E-01
DAV: 11 -0.913501425822E+02 -0.43293E-02 -0.11713E-02 608 0.565E-01 0.131E-01
DAV: 12 -0.913533716071E+02 -0.32290E-02 -0.27799E-03 623 0.243E-01 0.105E-01
DAV: 13 -0.913568490737E+02 -0.34775E-02 -0.12110E-03 669 0.186E-01 0.436E-02
DAV: 14 -0.913602593235E+02 -0.34102E-02 -0.75682E-04 656 0.155E-01 0.367E-02
DAV: 15 -0.913613869142E+02 -0.11276E-02 -0.12985E-04 768 0.822E-02 0.324E-02
DAV: 16 -0.913628696214E+02 -0.14827E-02 -0.31740E-04 642 0.883E-02 0.157E-02
DAV: 17 -0.913633050042E+02 -0.43538E-03 -0.53758E-05 680 0.475E-02 0.127E-02
DAV: 18 -0.913635625729E+02 -0.25757E-03 -0.44230E-05 565 0.300E-02 0.818E-03
DAV: 19 -0.913636153726E+02 -0.52800E-04 -0.66484E-06 504 0.138E-02 0.451E-03
DAV: 20 -0.913636465670E+02 -0.31194E-04 -0.58182E-06 424 0.157E-02 0.179E-03
DAV: 21 -0.913636626844E+02 -0.16117E-04 -0.36493E-06 453 0.919E-03 0.259E-03
DAV: 22 -0.913636649524E+02 -0.22680E-05 -0.55583E-07 504 0.443E-03
1 F= -.91363665E+02 E0= -.91368478E+02 d E =0.144385E-01