iterations/neb0_image05_iter202_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 0.368311049221E+03 0.36831E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.422360104709E+01 -0.36409E+03 -0.35027E+03 848 0.195E+02
DAV: 3 -0.954575395296E+02 -0.99681E+02 -0.99346E+02 677 0.117E+02
DAV: 4 -0.999995486544E+02 -0.45420E+01 -0.45317E+01 704 0.282E+01
DAV: 5 -0.100089699432E+03 -0.90151E-01 -0.90109E-01 728 0.354E+00 0.221E+01
DAV: 6 -0.915566113061E+02 0.85331E+01 -0.30785E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.907630011131E+02 0.79361E+00 -0.18062E+00 728 0.629E+00 0.481E+00
DAV: 8 -0.903927852238E+02 0.37022E+00 -0.52706E-01 712 0.421E+00 0.169E+00
DAV: 9 -0.903064917919E+02 0.86293E-01 -0.13808E-01 720 0.171E+00 0.435E-01
DAV: 10 -0.903000199012E+02 0.64719E-02 -0.43751E-02 736 0.125E+00 0.311E-01
DAV: 11 -0.903032048977E+02 -0.31850E-02 -0.69700E-03 616 0.542E-01 0.138E-01
DAV: 12 -0.903057736351E+02 -0.25687E-02 -0.63060E-03 616 0.470E-01 0.117E-01
DAV: 13 -0.903085449186E+02 -0.27713E-02 -0.13431E-03 845 0.283E-01 0.779E-02
DAV: 14 -0.903117936004E+02 -0.32487E-02 -0.14303E-03 646 0.167E-01 0.592E-02
DAV: 15 -0.903140532279E+02 -0.22596E-02 -0.41758E-04 728 0.131E-01 0.381E-02
DAV: 16 -0.903159394010E+02 -0.18862E-02 -0.85737E-04 661 0.166E-01 0.436E-02
DAV: 17 -0.903166172774E+02 -0.67788E-03 -0.23724E-04 928 0.112E-01 0.198E-02
DAV: 18 -0.903166959312E+02 -0.78654E-04 -0.54875E-05 696 0.388E-02 0.119E-02
DAV: 19 -0.903169448382E+02 -0.24891E-03 -0.34654E-05 578 0.327E-02 0.738E-03
DAV: 20 -0.903170924830E+02 -0.14764E-03 -0.12399E-05 466 0.204E-02 0.542E-03
DAV: 21 -0.903171432330E+02 -0.50750E-04 -0.16563E-05 525 0.218E-02 0.480E-03
DAV: 22 -0.903171607411E+02 -0.17508E-04 -0.57077E-06 450 0.199E-02 0.263E-03
DAV: 23 -0.903171631790E+02 -0.24379E-05 -0.28235E-06 496 0.859E-03
1 F= -.90317163E+02 E0= -.90323149E+02 d E =0.179586E-01