iterations/neb0_image08_iter40_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 0.376299564888E+03 0.37630E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.376406895690E+01 -0.37254E+03 -0.35872E+03 869 0.196E+02
DAV: 3 -0.967100240115E+02 -0.10047E+03 -0.10014E+03 680 0.117E+02
DAV: 4 -0.101096790395E+03 -0.43868E+01 -0.43766E+01 696 0.279E+01
DAV: 5 -0.101182086309E+03 -0.85296E-01 -0.85259E-01 728 0.352E+00 0.227E+01
DAV: 6 -0.925275643169E+02 0.86545E+01 -0.30730E+01 690 0.302E+01 0.119E+01
DAV: 7 -0.916510963668E+02 0.87647E+00 -0.17067E+00 728 0.617E+00 0.481E+00
DAV: 8 -0.912717694668E+02 0.37933E+00 -0.55535E-01 696 0.402E+00 0.164E+00
DAV: 9 -0.911873074554E+02 0.84462E-01 -0.13169E-01 704 0.159E+00 0.431E-01
DAV: 10 -0.911778186568E+02 0.94888E-02 -0.42962E-02 776 0.107E+00 0.298E-01
DAV: 11 -0.911826681611E+02 -0.48495E-02 -0.14124E-02 608 0.630E-01 0.168E-01
DAV: 12 -0.911848073239E+02 -0.21392E-02 -0.24178E-03 642 0.269E-01 0.968E-02
DAV: 13 -0.911891405598E+02 -0.43332E-02 -0.25114E-03 647 0.253E-01 0.593E-02
DAV: 14 -0.911911261581E+02 -0.19856E-02 -0.56723E-04 728 0.181E-01 0.403E-02
DAV: 15 -0.911941331908E+02 -0.30070E-02 -0.68163E-04 625 0.127E-01 0.356E-02
DAV: 16 -0.911948612270E+02 -0.72804E-03 -0.90917E-05 752 0.682E-02 0.168E-02
DAV: 17 -0.911958111809E+02 -0.94995E-03 -0.19151E-04 628 0.740E-02 0.157E-02
DAV: 18 -0.911960964917E+02 -0.28531E-03 -0.23683E-05 544 0.316E-02 0.124E-02
DAV: 19 -0.911962314676E+02 -0.13498E-03 -0.39168E-05 645 0.352E-02 0.475E-03
DAV: 20 -0.911962713867E+02 -0.39919E-04 -0.46561E-06 480 0.181E-02 0.153E-03
DAV: 21 -0.911962932399E+02 -0.21853E-04 -0.25271E-06 418 0.750E-03 0.153E-03
DAV: 22 -0.911963043904E+02 -0.11151E-04 -0.14301E-06 441 0.491E-03 0.160E-03
DAV: 23 -0.911963059554E+02 -0.15651E-05 -0.29094E-07 496 0.244E-03
1 F= -.91196306E+02 E0= -.91201205E+02 d E =0.146966E-01