./iterations/neb0_image03_iter66_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 0.367766996134E+03 0.36777E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.390864698502E+01 -0.36386E+03 -0.35059E+03 845 0.195E+02
DAV: 3 -0.954631142304E+02 -0.99372E+02 -0.99043E+02 664 0.116E+02
DAV: 4 -0.100084368561E+03 -0.46213E+01 -0.46107E+01 712 0.290E+01
DAV: 5 -0.100173554095E+03 -0.89186E-01 -0.89147E-01 736 0.365E+00 0.223E+01
DAV: 6 -0.915890507618E+02 0.85845E+01 -0.30661E+01 696 0.296E+01 0.116E+01
DAV: 7 -0.907380984108E+02 0.85095E+00 -0.18335E+00 712 0.640E+00 0.483E+00
DAV: 8 -0.903340235757E+02 0.40407E+00 -0.57169E-01 696 0.433E+00 0.165E+00
DAV: 9 -0.902396431617E+02 0.94380E-01 -0.14085E-01 704 0.172E+00 0.437E-01
DAV: 10 -0.902319396504E+02 0.77035E-02 -0.47931E-02 712 0.120E+00 0.336E-01
DAV: 11 -0.902354092373E+02 -0.34696E-02 -0.71815E-03 613 0.547E-01 0.118E-01
DAV: 12 -0.902383006418E+02 -0.28914E-02 -0.54765E-03 615 0.334E-01 0.127E-01
DAV: 13 -0.902423946924E+02 -0.40941E-02 -0.21482E-03 845 0.386E-01 0.896E-02
DAV: 14 -0.902451880231E+02 -0.27933E-02 -0.99157E-04 636 0.150E-01 0.651E-02
DAV: 15 -0.902476978561E+02 -0.25098E-02 -0.65226E-04 680 0.147E-01 0.318E-02
DAV: 16 -0.902494760466E+02 -0.17782E-02 -0.41058E-04 666 0.107E-01 0.289E-02
DAV: 17 -0.902501843212E+02 -0.70827E-03 -0.82447E-05 680 0.492E-02 0.193E-02
DAV: 18 -0.902505443898E+02 -0.36007E-03 -0.96943E-05 648 0.525E-02 0.840E-03
DAV: 19 -0.902506120632E+02 -0.67673E-04 -0.84167E-06 512 0.193E-02 0.550E-03
DAV: 20 -0.902506957602E+02 -0.83697E-04 -0.12378E-05 409 0.195E-02 0.344E-03
DAV: 21 -0.902507301717E+02 -0.34412E-04 -0.48649E-06 472 0.105E-02 0.203E-03
DAV: 22 -0.902507404246E+02 -0.10253E-04 -0.21933E-06 480 0.859E-03 0.113E-03
DAV: 23 -0.902507433383E+02 -0.29138E-05 -0.70817E-07 464 0.469E-03
1 F= -.90250743E+02 E0= -.90259152E+02 d E =0.252266E-01