iterations/neb0_image04_iter117_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 0.370267136320E+03 0.37027E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.398084760781E+01 -0.36629E+03 -0.35449E+03 858 0.195E+02
DAV: 3 -0.954788767237E+02 -0.99460E+02 -0.99145E+02 677 0.116E+02
DAV: 4 -0.999008743162E+02 -0.44220E+01 -0.44110E+01 704 0.282E+01
DAV: 5 -0.999859137009E+02 -0.85039E-01 -0.84999E-01 712 0.354E+00 0.222E+01
DAV: 6 -0.914429411526E+02 0.85430E+01 -0.30023E+01 685 0.295E+01 0.116E+01
DAV: 7 -0.905833400078E+02 0.85960E+00 -0.17609E+00 712 0.628E+00 0.480E+00
DAV: 8 -0.901845991035E+02 0.39874E+00 -0.55875E-01 712 0.421E+00 0.164E+00
DAV: 9 -0.900909150371E+02 0.93684E-01 -0.13105E-01 712 0.177E+00 0.443E-01
DAV: 10 -0.900813557153E+02 0.95593E-02 -0.56614E-02 712 0.136E+00 0.351E-01
DAV: 11 -0.900854988058E+02 -0.41431E-02 -0.16876E-02 624 0.789E-01 0.165E-01
DAV: 12 -0.900860881270E+02 -0.58932E-03 -0.44828E-03 645 0.382E-01 0.138E-01
DAV: 13 -0.900902143640E+02 -0.41262E-02 -0.63025E-03 821 0.594E-01 0.103E-01
DAV: 14 -0.900930003424E+02 -0.27860E-02 -0.14799E-03 680 0.220E-01 0.741E-02
DAV: 15 -0.900951682681E+02 -0.21679E-02 -0.71966E-04 666 0.149E-01 0.297E-02
DAV: 16 -0.900970319288E+02 -0.18637E-02 -0.34408E-04 693 0.970E-02 0.298E-02
DAV: 17 -0.900981487602E+02 -0.11168E-02 -0.10608E-04 594 0.457E-02 0.222E-02
DAV: 18 -0.900986525510E+02 -0.50379E-03 -0.17475E-04 653 0.730E-02 0.112E-02
DAV: 19 -0.900987519154E+02 -0.99364E-04 -0.11755E-05 496 0.198E-02 0.113E-02
DAV: 20 -0.900988217486E+02 -0.69833E-04 -0.12333E-05 428 0.210E-02 0.626E-03
DAV: 21 -0.900988441271E+02 -0.22378E-04 -0.64547E-06 496 0.150E-02 0.227E-03
DAV: 22 -0.900988632577E+02 -0.19131E-04 -0.41062E-06 398 0.118E-02 0.102E-03
DAV: 23 -0.900988733442E+02 -0.10087E-04 -0.23995E-06 466 0.655E-03 0.203E-03
DAV: 24 -0.900988740444E+02 -0.70011E-06 -0.40643E-07 536 0.394E-03
1 F= -.90098874E+02 E0= -.90103171E+02 d E =0.128913E-01