./iterations/neb0_image01_iter36_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.423131089686E+04 0.42313E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.430736254337E+03 -0.46620E+04 -0.45590E+04 3360 0.329E+02
DAV: 3 -0.943488233722E+03 -0.51275E+03 -0.51054E+03 3120 0.117E+02
DAV: 4 -0.955705862875E+03 -0.12218E+02 -0.12173E+02 3192 0.195E+01
DAV: 5 -0.956101927888E+03 -0.39607E+00 -0.39555E+00 3210 0.318E+00 0.813E+01
DAV: 6 -0.848021786051E+03 0.10808E+03 -0.47115E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847557068438E+03 0.46472E+00 -0.14400E+01 3543 0.606E+00 0.146E+01
DAV: 8 -0.847219296366E+03 0.33777E+00 -0.96253E-01 3156 0.237E+00 0.593E+00
DAV: 9 -0.847173209714E+03 0.46087E-01 -0.41202E-01 3201 0.151E+00 0.857E-01
DAV: 10 -0.847179621528E+03 -0.64118E-02 -0.70614E-02 3120 0.596E-01 0.592E-01
DAV: 11 -0.847179393989E+03 0.22754E-03 -0.64968E-03 3120 0.207E-01 0.334E-01
DAV: 12 -0.847180715769E+03 -0.13218E-02 -0.70114E-03 3066 0.246E-01 0.117E-01
DAV: 13 -0.847184078363E+03 -0.33626E-02 -0.44700E-03 3183 0.213E-01 0.135E-01
DAV: 14 -0.847188028813E+03 -0.39504E-02 -0.28307E-03 3120 0.138E-01 0.941E-02
DAV: 15 -0.847192914017E+03 -0.48852E-02 -0.12541E-03 3057 0.872E-02 0.374E-02
DAV: 16 -0.847195111210E+03 -0.21972E-02 -0.39556E-04 3129 0.485E-02 0.375E-02
DAV: 17 -0.847196165195E+03 -0.10540E-02 -0.22491E-04 3102 0.356E-02 0.262E-02
DAV: 18 -0.847196865890E+03 -0.70070E-03 -0.29764E-05 2454 0.195E-02 0.137E-02
DAV: 19 -0.847197437480E+03 -0.57159E-03 -0.42017E-05 2706 0.218E-02 0.733E-03
DAV: 20 -0.847197525034E+03 -0.87554E-04 -0.31003E-05 2643 0.137E-02 0.669E-03
DAV: 21 -0.847197561203E+03 -0.36168E-04 -0.30891E-06 2004 0.410E-03 0.575E-03
DAV: 22 -0.847197583042E+03 -0.21839E-04 -0.22091E-06 1995 0.346E-03 0.260E-03
DAV: 23 -0.847197592169E+03 -0.91273E-05 -0.16245E-06 1986 0.317E-03
1 F= -.84719759E+03 E0= -.84720146E+03 d E =0.115958E-01