iterations/neb0_image09_iter205_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 0.373950001197E+03 0.37395E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.324904053881E+01 -0.37070E+03 -0.35806E+03 869 0.196E+02
DAV: 3 -0.967227309971E+02 -0.99972E+02 -0.99642E+02 661 0.117E+02
DAV: 4 -0.101255741163E+03 -0.45330E+01 -0.45224E+01 720 0.287E+01
DAV: 5 -0.101344647020E+03 -0.88906E-01 -0.88864E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926761732358E+02 0.86685E+01 -0.31002E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918102710893E+02 0.86590E+00 -0.17192E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914349575460E+02 0.37531E+00 -0.54313E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913537013111E+02 0.81256E-01 -0.13137E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913454906281E+02 0.82107E-02 -0.44162E-02 776 0.109E+00 0.299E-01
DAV: 11 -0.913498633933E+02 -0.43728E-02 -0.11842E-02 608 0.567E-01 0.132E-01
DAV: 12 -0.913530693226E+02 -0.32059E-02 -0.28362E-03 623 0.244E-01 0.108E-01
DAV: 13 -0.913565837929E+02 -0.35145E-02 -0.13100E-03 679 0.197E-01 0.435E-02
DAV: 14 -0.913599044110E+02 -0.33206E-02 -0.69385E-04 664 0.150E-01 0.356E-02
DAV: 15 -0.913611437719E+02 -0.12394E-02 -0.13067E-04 744 0.788E-02 0.332E-02
DAV: 16 -0.913625983745E+02 -0.14546E-02 -0.33828E-04 656 0.940E-02 0.179E-02
DAV: 17 -0.913629953632E+02 -0.39699E-03 -0.68942E-05 736 0.598E-02 0.121E-02
DAV: 18 -0.913632282493E+02 -0.23289E-03 -0.33830E-05 576 0.251E-02 0.886E-03
DAV: 19 -0.913633140060E+02 -0.85757E-04 -0.10088E-05 480 0.159E-02 0.379E-03
DAV: 20 -0.913633484181E+02 -0.34412E-04 -0.72471E-06 440 0.167E-02 0.189E-03
DAV: 21 -0.913633635285E+02 -0.15110E-04 -0.29306E-06 448 0.775E-03 0.244E-03
DAV: 22 -0.913633670412E+02 -0.35126E-05 -0.62106E-07 488 0.449E-03
1 F= -.91363367E+02 E0= -.91368170E+02 d E =0.144094E-01