iterations/neb0_image03_iter229_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 0.363065063884E+03 0.36307E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.428219070744E+00 -0.36264E+03 -0.35188E+03 850 0.195E+02
DAV: 3 -0.960418409074E+02 -0.96470E+02 -0.96153E+02 680 0.115E+02
DAV: 4 -0.100265599828E+03 -0.42238E+01 -0.42130E+01 712 0.271E+01
DAV: 5 -0.100349425249E+03 -0.83825E-01 -0.83793E-01 736 0.341E+00 0.222E+01
DAV: 6 -0.917269779175E+02 0.86224E+01 -0.31015E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908807057611E+02 0.84627E+00 -0.17962E+00 712 0.637E+00 0.485E+00
DAV: 8 -0.904839485468E+02 0.39676E+00 -0.57341E-01 688 0.437E+00 0.168E+00
DAV: 9 -0.903915186633E+02 0.92430E-01 -0.13420E-01 728 0.168E+00 0.439E-01
DAV: 10 -0.903842532926E+02 0.72654E-02 -0.52903E-02 712 0.131E+00 0.346E-01
DAV: 11 -0.903882776931E+02 -0.40244E-02 -0.83864E-03 624 0.601E-01 0.130E-01
DAV: 12 -0.903921214973E+02 -0.38438E-02 -0.76103E-03 621 0.418E-01 0.144E-01
DAV: 13 -0.903952686754E+02 -0.31472E-02 -0.21088E-03 861 0.376E-01 0.884E-02
DAV: 14 -0.903985991295E+02 -0.33305E-02 -0.15184E-03 637 0.195E-01 0.701E-02
DAV: 15 -0.904007762803E+02 -0.21772E-02 -0.33947E-04 680 0.936E-02 0.501E-02
DAV: 16 -0.904022961349E+02 -0.15199E-02 -0.73315E-04 656 0.159E-01 0.286E-02
DAV: 17 -0.904030732851E+02 -0.77715E-03 -0.90801E-05 672 0.586E-02 0.257E-02
DAV: 18 -0.904036079894E+02 -0.53470E-03 -0.16388E-04 653 0.708E-02 0.784E-03
DAV: 19 -0.904037196305E+02 -0.11164E-03 -0.14927E-05 496 0.233E-02 0.675E-03
DAV: 20 -0.904037935475E+02 -0.73917E-04 -0.12339E-05 437 0.178E-02 0.513E-03
DAV: 21 -0.904038364998E+02 -0.42952E-04 -0.72060E-06 469 0.140E-02 0.230E-03
DAV: 22 -0.904038484560E+02 -0.11956E-04 -0.50809E-06 472 0.121E-02 0.305E-03
DAV: 23 -0.904038496037E+02 -0.11477E-05 -0.94250E-07 528 0.635E-03
1 F= -.90403850E+02 E0= -.90410540E+02 d E =0.200716E-01