./iterations/neb0_image03_iter175_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 0.364164827423E+03 0.36416E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.201135616059E+00 -0.36396E+03 -0.35388E+03 858 0.195E+02
DAV: 3 -0.960899997631E+02 -0.96291E+02 -0.95984E+02 672 0.115E+02
DAV: 4 -0.100253234574E+03 -0.41632E+01 -0.41521E+01 712 0.275E+01
DAV: 5 -0.100334577594E+03 -0.81343E-01 -0.81305E-01 736 0.346E+00 0.222E+01
DAV: 6 -0.917169273529E+02 0.86177E+01 -0.30954E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908748143892E+02 0.84211E+00 -0.18020E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904771233048E+02 0.39769E+00 -0.54502E-01 704 0.424E+00 0.169E+00
DAV: 9 -0.903807517018E+02 0.96372E-01 -0.13701E-01 704 0.191E+00 0.441E-01
DAV: 10 -0.903730609055E+02 0.76908E-02 -0.41545E-02 712 0.109E+00 0.333E-01
DAV: 11 -0.903783083369E+02 -0.52474E-02 -0.14550E-02 608 0.770E-01 0.188E-01
DAV: 12 -0.903791347241E+02 -0.82639E-03 -0.44832E-03 656 0.446E-01 0.119E-01
DAV: 13 -0.903833794058E+02 -0.42447E-02 -0.37002E-03 690 0.354E-01 0.894E-02
DAV: 14 -0.903865056477E+02 -0.31262E-02 -0.70190E-04 677 0.154E-01 0.488E-02
DAV: 15 -0.903891210081E+02 -0.26154E-02 -0.63232E-04 650 0.132E-01 0.231E-02
DAV: 16 -0.903907617175E+02 -0.16407E-02 -0.17346E-04 680 0.669E-02 0.197E-02
DAV: 17 -0.903917028615E+02 -0.94114E-03 -0.12149E-04 709 0.673E-02 0.116E-02
DAV: 18 -0.903921971282E+02 -0.49427E-03 -0.69842E-05 663 0.459E-02 0.113E-02
DAV: 19 -0.903923371531E+02 -0.14002E-03 -0.17173E-05 496 0.264E-02 0.615E-03
DAV: 20 -0.903924339602E+02 -0.96807E-04 -0.19201E-05 476 0.231E-02 0.276E-03
DAV: 21 -0.903924862314E+02 -0.52271E-04 -0.65902E-06 472 0.112E-02 0.289E-03
DAV: 22 -0.903924994830E+02 -0.13252E-04 -0.18785E-06 488 0.727E-03 0.166E-03
DAV: 23 -0.903925044791E+02 -0.49961E-05 -0.23272E-06 432 0.872E-03
1 F= -.90392504E+02 E0= -.90401206E+02 d E =0.261033E-01