./iterations/neb0_image02_iter38_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 0.423309748715E+04 0.42331E+04 -0.23865E+05 2892 0.117E+03
DAV: 2 -0.430501078891E+03 -0.46636E+04 -0.45626E+04 3366 0.329E+02
DAV: 3 -0.943363725350E+03 -0.51286E+03 -0.51066E+03 3120 0.117E+02
DAV: 4 -0.955564400523E+03 -0.12201E+02 -0.12155E+02 3183 0.195E+01
DAV: 5 -0.955965035327E+03 -0.40063E+00 -0.40009E+00 3192 0.320E+00 0.813E+01
DAV: 6 -0.847866504736E+03 0.10810E+03 -0.47091E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847401993740E+03 0.46451E+00 -0.14441E+01 3543 0.608E+00 0.146E+01
DAV: 8 -0.847066001315E+03 0.33599E+00 -0.96509E-01 3156 0.237E+00 0.593E+00
DAV: 9 -0.847019516687E+03 0.46485E-01 -0.41192E-01 3192 0.153E+00 0.857E-01
DAV: 10 -0.847026510632E+03 -0.69939E-02 -0.73166E-02 3111 0.607E-01 0.599E-01
DAV: 11 -0.847026537604E+03 -0.26972E-04 -0.66846E-03 3111 0.207E-01 0.342E-01
DAV: 12 -0.847027992667E+03 -0.14551E-02 -0.70033E-03 3048 0.243E-01 0.118E-01
DAV: 13 -0.847031445541E+03 -0.34529E-02 -0.45243E-03 3201 0.215E-01 0.135E-01
DAV: 14 -0.847035578682E+03 -0.41331E-02 -0.29775E-03 3093 0.143E-01 0.947E-02
DAV: 15 -0.847040345536E+03 -0.47669E-02 -0.12133E-03 3120 0.846E-02 0.363E-02
DAV: 16 -0.847042679344E+03 -0.23338E-02 -0.40455E-04 3120 0.488E-02 0.380E-02
DAV: 17 -0.847043734519E+03 -0.10552E-02 -0.24396E-04 3111 0.377E-02 0.266E-02
DAV: 18 -0.847044421828E+03 -0.68731E-03 -0.33166E-05 2535 0.202E-02 0.139E-02
DAV: 19 -0.847045004795E+03 -0.58297E-03 -0.40723E-05 2706 0.218E-02 0.719E-03
DAV: 20 -0.847045108026E+03 -0.10323E-03 -0.31208E-05 2670 0.140E-02 0.657E-03
DAV: 21 -0.847045147258E+03 -0.39232E-04 -0.31713E-06 1995 0.422E-03 0.572E-03
DAV: 22 -0.847045169713E+03 -0.22455E-04 -0.21480E-06 1995 0.337E-03 0.255E-03
DAV: 23 -0.847045179640E+03 -0.99276E-05 -0.16123E-06 1986 0.320E-03
1 F= -.84704518E+03 E0= -.84704904E+03 d E =0.115958E-01