./iterations/neb0_image04_iter26_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.144946030704E+04 0.14495E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.225193655912E+03 -0.12243E+04 -0.11495E+04 435 0.163E+02
DAV: 3 -0.362422472622E+03 -0.58762E+03 -0.58431E+03 345 0.114E+02
DAV: 4 -0.433314419125E+03 -0.70892E+02 -0.70632E+02 318 0.509E+01
DAV: 5 -0.434901333731E+03 -0.15869E+01 -0.15845E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389025966320E+03 0.45875E+02 -0.14760E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385576501422E+03 0.34495E+01 -0.13537E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384116975448E+03 0.14595E+01 -0.22993E+00 327 0.387E+00 0.436E+00
DAV: 9 -0.383574471651E+03 0.54250E+00 -0.16349E+00 327 0.242E+00 0.129E+00
DAV: 10 -0.383494546725E+03 0.79925E-01 -0.16255E-01 336 0.112E+00 0.915E-01
DAV: 11 -0.383461946978E+03 0.32600E-01 -0.10063E-01 345 0.800E-01 0.788E-01
DAV: 12 -0.383448808349E+03 0.13139E-01 -0.15890E-01 354 0.588E-01 0.554E-01
DAV: 13 -0.383427770755E+03 0.21038E-01 -0.18968E-02 309 0.427E-01 0.269E-01
DAV: 14 -0.383427526928E+03 0.24383E-03 -0.47384E-02 345 0.456E-01 0.474E-01
DAV: 15 -0.383425554966E+03 0.19720E-02 -0.15684E-02 318 0.306E-01 0.426E-01
DAV: 16 -0.383429401922E+03 -0.38470E-02 -0.62813E-03 300 0.223E-01 0.155E-01
DAV: 17 -0.383439093983E+03 -0.96921E-02 -0.45838E-03 291 0.200E-01 0.147E-01
DAV: 18 -0.383447729347E+03 -0.86354E-02 -0.37546E-03 354 0.181E-01 0.288E-01
DAV: 19 -0.383453204901E+03 -0.54756E-02 -0.19625E-03 354 0.149E-01 0.145E-01
DAV: 20 -0.383455854233E+03 -0.26493E-02 -0.71342E-04 318 0.718E-02 0.182E-01
DAV: 21 -0.383460359882E+03 -0.45056E-02 -0.46620E-04 327 0.622E-02 0.900E-02
DAV: 22 -0.383466495626E+03 -0.61357E-02 -0.70818E-04 345 0.652E-02 0.424E-02
DAV: 23 -0.383469128390E+03 -0.26328E-02 -0.31383E-04 327 0.352E-02 0.421E-02
DAV: 24 -0.383471110472E+03 -0.19821E-02 -0.71780E-05 300 0.197E-02 0.411E-02
DAV: 25 -0.383473441665E+03 -0.23312E-02 -0.13445E-04 300 0.218E-02 0.241E-02
DAV: 26 -0.383473910099E+03 -0.46843E-03 -0.18860E-05 273 0.109E-02 0.247E-02
DAV: 27 -0.383474700011E+03 -0.78991E-03 -0.34869E-05 282 0.108E-02 0.161E-02
DAV: 28 -0.383475146796E+03 -0.44679E-03 -0.23420E-05 264 0.102E-02 0.680E-03
DAV: 29 -0.383475262338E+03 -0.11554E-03 -0.61646E-06 237 0.609E-03 0.714E-03
DAV: 30 -0.383475324848E+03 -0.62510E-04 -0.18934E-06 210 0.315E-03 0.612E-03
DAV: 31 -0.383475428853E+03 -0.10401E-03 -0.37800E-06 228 0.329E-03 0.348E-03
DAV: 32 -0.383475465006E+03 -0.36153E-04 -0.13431E-06 228 0.270E-03 0.199E-03
DAV: 33 -0.383475501394E+03 -0.36388E-04 -0.14818E-06 210 0.254E-03 0.155E-03
DAV: 34 -0.383475506387E+03 -0.49929E-05 -0.51309E-07 228 0.145E-03
1 F= -.38347551E+03 E0= -.38349228E+03 d E =0.503333E-01