./iterations/neb0_image06_iter91_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 0.375269328235E+03 0.37527E+03 -0.14308E+04 632 0.799E+02
DAV: 2 0.360460158211E+01 -0.37166E+03 -0.35953E+03 877 0.195E+02
DAV: 3 -0.955957100157E+02 -0.99200E+02 -0.98877E+02 656 0.117E+02
DAV: 4 -0.100167210029E+03 -0.45715E+01 -0.45606E+01 696 0.289E+01
DAV: 5 -0.100261240383E+03 -0.94030E-01 -0.93989E-01 744 0.368E+00 0.226E+01
DAV: 6 -0.916389036386E+02 0.86223E+01 -0.30956E+01 714 0.307E+01 0.118E+01
DAV: 7 -0.908165487876E+02 0.82235E+00 -0.17317E+00 720 0.630E+00 0.480E+00
DAV: 8 -0.904381345030E+02 0.37841E+00 -0.51683E-01 712 0.400E+00 0.168E+00
DAV: 9 -0.903453953771E+02 0.92739E-01 -0.13441E-01 720 0.165E+00 0.422E-01
DAV: 10 -0.903359645876E+02 0.94308E-02 -0.40130E-02 736 0.103E+00 0.298E-01
DAV: 11 -0.903404179613E+02 -0.44534E-02 -0.12417E-02 624 0.672E-01 0.163E-01
DAV: 12 -0.903420240822E+02 -0.16061E-02 -0.22898E-03 666 0.275E-01 0.116E-01
DAV: 13 -0.903466646156E+02 -0.46405E-02 -0.30357E-03 651 0.354E-01 0.812E-02
DAV: 14 -0.903483498968E+02 -0.16853E-02 -0.46072E-04 784 0.142E-01 0.534E-02
DAV: 15 -0.903513411753E+02 -0.29913E-02 -0.90356E-04 666 0.176E-01 0.359E-02
DAV: 16 -0.903529445563E+02 -0.16034E-02 -0.20676E-04 709 0.861E-02 0.256E-02
DAV: 17 -0.903534890022E+02 -0.54445E-03 -0.11165E-04 768 0.676E-02 0.148E-02
DAV: 18 -0.903543076966E+02 -0.81869E-03 -0.18585E-04 657 0.853E-02 0.177E-02
DAV: 19 -0.903543927349E+02 -0.85038E-04 -0.23946E-05 536 0.412E-02 0.116E-02
DAV: 20 -0.903544806579E+02 -0.87923E-04 -0.43760E-05 629 0.384E-02 0.534E-03
DAV: 21 -0.903545318744E+02 -0.51216E-04 -0.50807E-06 474 0.150E-02 0.432E-03
DAV: 22 -0.903545691502E+02 -0.37276E-04 -0.44027E-06 419 0.974E-03 0.263E-03
DAV: 23 -0.903545766196E+02 -0.74693E-05 -0.30584E-06 485 0.103E-02
1 F= -.90354577E+02 E0= -.90361936E+02 d E =0.220786E-01