./iterations/neb0_image01_iter158_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 0.366136354970E+03 0.36614E+03 -0.14302E+04 624 0.799E+02
DAV: 2 0.323558956875E+01 -0.36290E+03 -0.35004E+03 839 0.196E+02
DAV: 3 -0.955655561967E+02 -0.98801E+02 -0.98452E+02 658 0.116E+02
DAV: 4 -0.100241196065E+03 -0.46756E+01 -0.46643E+01 696 0.291E+01
DAV: 5 -0.100334392131E+03 -0.93196E-01 -0.93148E-01 728 0.368E+00 0.223E+01
DAV: 6 -0.916908253742E+02 0.86436E+01 -0.30979E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908790319163E+02 0.81179E+00 -0.18257E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.905025728144E+02 0.37646E+00 -0.55593E-01 704 0.429E+00 0.166E+00
DAV: 9 -0.904209821129E+02 0.81591E-01 -0.13229E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904163860878E+02 0.45960E-02 -0.47454E-02 712 0.125E+00 0.323E-01
DAV: 11 -0.904204392060E+02 -0.40531E-02 -0.79747E-03 608 0.571E-01 0.121E-01
DAV: 12 -0.904237855187E+02 -0.33463E-02 -0.64601E-03 637 0.445E-01 0.131E-01
DAV: 13 -0.904262241054E+02 -0.24386E-02 -0.15724E-03 864 0.304E-01 0.762E-02
DAV: 14 -0.904293935461E+02 -0.31694E-02 -0.15292E-03 639 0.200E-01 0.698E-02
DAV: 15 -0.904309746642E+02 -0.15811E-02 -0.29855E-04 688 0.115E-01 0.551E-02
DAV: 16 -0.904323375603E+02 -0.13629E-02 -0.11021E-03 661 0.204E-01 0.391E-02
DAV: 17 -0.904331786975E+02 -0.84114E-03 -0.14515E-04 661 0.821E-02 0.334E-02
DAV: 18 -0.904335004499E+02 -0.32175E-03 -0.76877E-05 669 0.433E-02 0.196E-02
DAV: 19 -0.904336949645E+02 -0.19451E-03 -0.10480E-04 639 0.580E-02 0.961E-03
DAV: 20 -0.904337222539E+02 -0.27289E-04 -0.10521E-05 512 0.214E-02 0.978E-03
DAV: 21 -0.904337601508E+02 -0.37897E-04 -0.76300E-06 407 0.155E-02 0.731E-03
DAV: 22 -0.904337740977E+02 -0.13947E-04 -0.47129E-06 480 0.173E-02 0.342E-03
DAV: 23 -0.904337779176E+02 -0.38199E-05 -0.75874E-06 496 0.156E-02
1 F= -.90433778E+02 E0= -.90439311E+02 d E =0.165989E-01