./iterations/neb0_image09_iter53_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 0.374377399231E+03 0.37438E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.251377028671E+01 -0.37186E+03 -0.35949E+03 877 0.196E+02
DAV: 3 -0.966636613547E+02 -0.99177E+02 -0.98842E+02 656 0.117E+02
DAV: 4 -0.101204030903E+03 -0.45404E+01 -0.45312E+01 688 0.289E+01
DAV: 5 -0.101294459777E+03 -0.90429E-01 -0.90389E-01 736 0.369E+00 0.226E+01
DAV: 6 -0.926604782158E+02 0.86340E+01 -0.30846E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.917980669575E+02 0.86241E+00 -0.17110E+00 728 0.616E+00 0.479E+00
DAV: 8 -0.914214421967E+02 0.37662E+00 -0.54763E-01 712 0.398E+00 0.163E+00
DAV: 9 -0.913389137625E+02 0.82528E-01 -0.13007E-01 704 0.154E+00 0.423E-01
DAV: 10 -0.913298742342E+02 0.90395E-02 -0.45935E-02 752 0.112E+00 0.304E-01
DAV: 11 -0.913345647367E+02 -0.46905E-02 -0.13930E-02 613 0.608E-01 0.155E-01
DAV: 12 -0.913374543331E+02 -0.28896E-02 -0.30726E-03 625 0.243E-01 0.116E-01
DAV: 13 -0.913412657226E+02 -0.38114E-02 -0.17624E-03 728 0.231E-01 0.437E-02
DAV: 14 -0.913446059778E+02 -0.33403E-02 -0.55153E-04 661 0.130E-01 0.317E-02
DAV: 15 -0.913461335651E+02 -0.15276E-02 -0.13688E-04 672 0.657E-02 0.333E-02
DAV: 16 -0.913473989874E+02 -0.12654E-02 -0.32574E-04 658 0.932E-02 0.196E-02
DAV: 17 -0.913476690775E+02 -0.27009E-03 -0.41830E-05 664 0.478E-02 0.129E-02
DAV: 18 -0.913479169970E+02 -0.24792E-03 -0.54704E-05 634 0.383E-02 0.114E-02
DAV: 19 -0.913480133823E+02 -0.96385E-04 -0.99098E-06 480 0.217E-02 0.544E-03
DAV: 20 -0.913480503853E+02 -0.37003E-04 -0.17178E-05 461 0.235E-02 0.372E-03
DAV: 21 -0.913480698730E+02 -0.19488E-04 -0.29221E-06 442 0.103E-02 0.257E-03
DAV: 22 -0.913480749388E+02 -0.50658E-05 -0.18124E-06 450 0.767E-03
1 F= -.91348075E+02 E0= -.91352739E+02 d E =0.139920E-01