iterations/neb0_image09_iter225_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 0.374014665799E+03 0.37401E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.329406389692E+01 -0.37072E+03 -0.35810E+03 869 0.196E+02
DAV: 3 -0.967216429554E+02 -0.10002E+03 -0.99686E+02 661 0.117E+02
DAV: 4 -0.101255079950E+03 -0.45334E+01 -0.45228E+01 720 0.287E+01
DAV: 5 -0.101344091065E+03 -0.89011E-01 -0.88970E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926764717850E+02 0.86676E+01 -0.30989E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918101917105E+02 0.86628E+00 -0.17145E+00 720 0.612E+00 0.479E+00
DAV: 8 -0.914348658766E+02 0.37533E+00 -0.54440E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913540147406E+02 0.80851E-01 -0.13163E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913458571351E+02 0.81576E-02 -0.43888E-02 760 0.108E+00 0.299E-01
DAV: 11 -0.913502268274E+02 -0.43697E-02 -0.11743E-02 608 0.563E-01 0.132E-01
DAV: 12 -0.913534673489E+02 -0.32405E-02 -0.28379E-03 623 0.243E-01 0.107E-01
DAV: 13 -0.913569391610E+02 -0.34718E-02 -0.12209E-03 666 0.190E-01 0.434E-02
DAV: 14 -0.913602680561E+02 -0.33289E-02 -0.73588E-04 656 0.151E-01 0.371E-02
DAV: 15 -0.913614514886E+02 -0.11834E-02 -0.13073E-04 760 0.805E-02 0.327E-02
DAV: 16 -0.913629541448E+02 -0.15027E-02 -0.33888E-04 642 0.917E-02 0.174E-02
DAV: 17 -0.913633762070E+02 -0.42206E-03 -0.69884E-05 736 0.584E-02 0.120E-02
DAV: 18 -0.913636158530E+02 -0.23965E-03 -0.35829E-05 565 0.254E-02 0.828E-03
DAV: 19 -0.913636763343E+02 -0.60481E-04 -0.84919E-06 496 0.151E-02 0.348E-03
DAV: 20 -0.913637050340E+02 -0.28700E-04 -0.50841E-06 432 0.137E-02 0.140E-03
DAV: 21 -0.913637204416E+02 -0.15408E-04 -0.23295E-06 445 0.673E-03 0.200E-03
DAV: 22 -0.913637243694E+02 -0.39278E-05 -0.56756E-07 472 0.410E-03
1 F= -.91363724E+02 E0= -.91368519E+02 d E =0.143840E-01