iterations/neb0_image06_iter78_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 0.376403789292E+03 0.37640E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.372085546044E+01 -0.37268E+03 -0.36035E+03 877 0.195E+02
DAV: 3 -0.956796092997E+02 -0.99400E+02 -0.99087E+02 656 0.117E+02
DAV: 4 -0.100194739559E+03 -0.45151E+01 -0.45042E+01 704 0.289E+01
DAV: 5 -0.100286590747E+03 -0.91851E-01 -0.91818E-01 720 0.368E+00 0.227E+01
DAV: 6 -0.916182821585E+02 0.86683E+01 -0.30894E+01 677 0.306E+01 0.118E+01
DAV: 7 -0.907682673343E+02 0.85001E+00 -0.17018E+00 720 0.626E+00 0.482E+00
DAV: 8 -0.903825852087E+02 0.38568E+00 -0.52800E-01 712 0.401E+00 0.166E+00
DAV: 9 -0.902914572799E+02 0.91128E-01 -0.13158E-01 720 0.162E+00 0.426E-01
DAV: 10 -0.902816873613E+02 0.97699E-02 -0.40058E-02 728 0.102E+00 0.299E-01
DAV: 11 -0.902860859670E+02 -0.43986E-02 -0.11516E-02 610 0.677E-01 0.162E-01
DAV: 12 -0.902876357951E+02 -0.15498E-02 -0.25859E-03 656 0.297E-01 0.112E-01
DAV: 13 -0.902922443997E+02 -0.46086E-02 -0.29039E-03 632 0.324E-01 0.931E-02
DAV: 14 -0.902939676948E+02 -0.17233E-02 -0.46932E-04 720 0.152E-01 0.538E-02
DAV: 15 -0.902972481758E+02 -0.32805E-02 -0.10442E-03 650 0.190E-01 0.372E-02
DAV: 16 -0.902989329661E+02 -0.16848E-02 -0.20027E-04 744 0.935E-02 0.260E-02
DAV: 17 -0.902994507373E+02 -0.51777E-03 -0.11437E-04 712 0.658E-02 0.156E-02
DAV: 18 -0.903002194955E+02 -0.76876E-03 -0.14474E-04 692 0.741E-02 0.142E-02
DAV: 19 -0.903003180670E+02 -0.98572E-04 -0.13802E-05 512 0.288E-02 0.115E-02
DAV: 20 -0.903004150641E+02 -0.96997E-04 -0.44170E-05 615 0.407E-02 0.595E-03
DAV: 21 -0.903004545545E+02 -0.39490E-04 -0.51202E-06 493 0.172E-02 0.427E-03
DAV: 22 -0.903004876532E+02 -0.33099E-04 -0.41159E-06 409 0.863E-03 0.273E-03
DAV: 23 -0.903004984129E+02 -0.10760E-04 -0.27497E-06 455 0.925E-03 0.994E-04
DAV: 24 -0.903005002890E+02 -0.18761E-05 -0.10346E-06 482 0.515E-03
1 F= -.90300500E+02 E0= -.90309041E+02 d E =0.256215E-01