./iterations/neb0_image03_iter161_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 0.364699856334E+03 0.36470E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.262532034452E+00 -0.36444E+03 -0.35413E+03 869 0.195E+02
DAV: 3 -0.961539862351E+02 -0.96417E+02 -0.96115E+02 677 0.115E+02
DAV: 4 -0.100242552018E+03 -0.40886E+01 -0.40786E+01 704 0.270E+01
DAV: 5 -0.100322628255E+03 -0.80076E-01 -0.80041E-01 736 0.340E+00 0.222E+01
DAV: 6 -0.916955002079E+02 0.86271E+01 -0.30951E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908612135707E+02 0.83429E+00 -0.18329E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904648816026E+02 0.39633E+00 -0.54368E-01 704 0.425E+00 0.168E+00
DAV: 9 -0.903683685804E+02 0.96513E-01 -0.13955E-01 712 0.176E+00 0.434E-01
DAV: 10 -0.903602281770E+02 0.81404E-02 -0.41536E-02 712 0.106E+00 0.325E-01
DAV: 11 -0.903648021072E+02 -0.45739E-02 -0.96286E-03 605 0.644E-01 0.137E-01
DAV: 12 -0.903669346458E+02 -0.21325E-02 -0.31972E-03 637 0.277E-01 0.137E-01
DAV: 13 -0.903707339051E+02 -0.37993E-02 -0.33864E-03 632 0.393E-01 0.776E-02
DAV: 14 -0.903745255344E+02 -0.37916E-02 -0.11784E-03 669 0.182E-01 0.718E-02
DAV: 15 -0.903763273393E+02 -0.18018E-02 -0.50070E-04 656 0.160E-01 0.251E-02
DAV: 16 -0.903783154902E+02 -0.19882E-02 -0.44784E-04 658 0.116E-01 0.303E-02
DAV: 17 -0.903789082459E+02 -0.59276E-03 -0.56662E-05 760 0.588E-02 0.218E-02
DAV: 18 -0.903794762023E+02 -0.56796E-03 -0.12890E-04 639 0.672E-02 0.136E-02
DAV: 19 -0.903796883298E+02 -0.21213E-03 -0.36073E-05 608 0.448E-02 0.454E-03
DAV: 20 -0.903798038990E+02 -0.11557E-03 -0.17112E-05 453 0.196E-02 0.441E-03
DAV: 21 -0.903798606563E+02 -0.56757E-04 -0.60646E-06 472 0.118E-02 0.278E-03
DAV: 22 -0.903798941727E+02 -0.33516E-04 -0.82525E-06 437 0.141E-02 0.319E-03
DAV: 23 -0.903798969976E+02 -0.28248E-05 -0.11860E-06 536 0.924E-03
1 F= -.90379897E+02 E0= -.90388753E+02 d E =0.265682E-01