iterations/neb0_image01_iter24_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 0.365836248601E+03 0.36584E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.219169502099E+01 -0.36364E+03 -0.35142E+03 855 0.195E+02
DAV: 3 -0.956668029428E+02 -0.97858E+02 -0.97525E+02 661 0.116E+02
DAV: 4 -0.100152225476E+03 -0.44854E+01 -0.44754E+01 696 0.287E+01
DAV: 5 -0.100240801110E+03 -0.88576E-01 -0.88532E-01 736 0.361E+00 0.222E+01
DAV: 6 -0.915994786430E+02 0.86413E+01 -0.31243E+01 685 0.299E+01 0.116E+01
DAV: 7 -0.907964244472E+02 0.80305E+00 -0.18288E+00 712 0.633E+00 0.482E+00
DAV: 8 -0.904162828343E+02 0.38014E+00 -0.55453E-01 712 0.429E+00 0.169E+00
DAV: 9 -0.903297372443E+02 0.86546E-01 -0.14018E-01 704 0.167E+00 0.434E-01
DAV: 10 -0.903240742126E+02 0.56630E-02 -0.45174E-02 720 0.126E+00 0.316E-01
DAV: 11 -0.903277483683E+02 -0.36742E-02 -0.65630E-03 616 0.476E-01 0.150E-01
DAV: 12 -0.903312579015E+02 -0.35095E-02 -0.73339E-03 610 0.499E-01 0.129E-01
DAV: 13 -0.903339646702E+02 -0.27068E-02 -0.15106E-03 848 0.319E-01 0.746E-02
DAV: 14 -0.903369380157E+02 -0.29733E-02 -0.13437E-03 626 0.173E-01 0.567E-02
DAV: 15 -0.903390362010E+02 -0.20982E-02 -0.35703E-04 688 0.110E-01 0.430E-02
DAV: 16 -0.903404250364E+02 -0.13888E-02 -0.67895E-04 661 0.153E-01 0.335E-02
DAV: 17 -0.903412098549E+02 -0.78482E-03 -0.12214E-04 664 0.769E-02 0.244E-02
DAV: 18 -0.903414393544E+02 -0.22950E-03 -0.66777E-05 688 0.421E-02 0.110E-02
DAV: 19 -0.903416368116E+02 -0.19746E-03 -0.29834E-05 525 0.271E-02 0.335E-03
DAV: 20 -0.903416938875E+02 -0.57076E-04 -0.98566E-06 480 0.179E-02 0.639E-03
DAV: 21 -0.903417351528E+02 -0.41265E-04 -0.59491E-06 434 0.140E-02 0.471E-03
DAV: 22 -0.903417484216E+02 -0.13269E-04 -0.42020E-06 469 0.125E-02 0.264E-03
DAV: 23 -0.903417503972E+02 -0.19757E-05 -0.32608E-06 520 0.110E-02
1 F= -.90341750E+02 E0= -.90347687E+02 d E =0.178086E-01