iterations/neb0_image07_iter71_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.136114589618E+04 0.13611E+04 -0.43408E+04 330 0.696E+02
DAV: 2 0.231074930053E+03 -0.11301E+04 -0.10682E+04 417 0.158E+02
DAV: 3 -0.283917036720E+03 -0.51499E+03 -0.49967E+03 363 0.107E+02
DAV: 4 -0.355626099696E+03 -0.71709E+02 -0.69502E+02 309 0.456E+01
DAV: 5 -0.358068100145E+03 -0.24420E+01 -0.24056E+01 327 0.843E+00 0.426E+01
DAV: 6 -0.351041973915E+03 0.70261E+01 -0.28193E+02 318 0.329E+01 0.430E+01
DAV: 7 -0.325651082011E+03 0.25391E+02 -0.87085E+01 327 0.138E+01 0.235E+01
DAV: 8 -0.318902894969E+03 0.67482E+01 -0.88693E+01 327 0.980E+00 0.234E+01
DAV: 9 -0.317877456179E+03 0.10254E+01 -0.10976E+02 345 0.715E+00 0.246E+01
DAV: 10 -0.314334695090E+03 0.35428E+01 -0.43735E+01 336 0.483E+00 0.154E+01
DAV: 11 -0.313790482158E+03 0.54421E+00 -0.41022E+01 309 0.286E+00 0.142E+01
DAV: 12 -0.312287510262E+03 0.15030E+01 -0.18947E+01 309 0.253E+00 0.154E+01
DAV: 13 -0.310810279857E+03 0.14772E+01 -0.48306E+00 309 0.143E+00 0.789E+00
DAV: 14 -0.310753686646E+03 0.56593E-01 -0.87003E-01 327 0.118E+00 0.823E+00
DAV: 15 -0.310760401316E+03 -0.67147E-02 -0.61566E+00 345 0.825E-01 0.106E+01
DAV: 16 -0.310691532529E+03 0.68869E-01 -0.47596E+00 354 0.100E+00 0.913E+00
DAV: 17 -0.310500255053E+03 0.19128E+00 -0.79901E-01 345 0.659E-01 0.665E+00
DAV: 18 -0.310467424304E+03 0.32831E-01 -0.22418E+00 372 0.541E-01 0.536E+00
DAV: 19 -0.310396880822E+03 0.70543E-01 -0.22287E-01 291 0.369E-01 0.252E+00
DAV: 20 -0.310404099833E+03 -0.72190E-02 -0.13787E-01 309 0.248E-01 0.233E+00
DAV: 21 -0.310415749936E+03 -0.11650E-01 -0.10651E-01 309 0.201E-01 0.348E+00
DAV: 22 -0.310401763681E+03 0.13986E-01 -0.44123E-02 291 0.211E-01 0.111E+00
DAV: 23 -0.310412362090E+03 -0.10598E-01 -0.34015E-02 318 0.118E-01 0.920E-01
DAV: 24 -0.310427932417E+03 -0.15570E-01 -0.64593E-02 327 0.124E-01 0.146E+00
DAV: 25 -0.310440600525E+03 -0.12668E-01 -0.95364E-02 318 0.148E-01 0.162E+00
DAV: 26 -0.310446228365E+03 -0.56278E-02 -0.31426E-02 327 0.130E-01 0.219E-01
DAV: 27 -0.310455454960E+03 -0.92266E-02 -0.19548E-03 345 0.765E-02 0.266E-01
DAV: 28 -0.310462239109E+03 -0.67841E-02 -0.62873E-04 327 0.433E-02 0.201E-01
DAV: 29 -0.310469119800E+03 -0.68807E-02 -0.92453E-04 318 0.367E-02 0.310E-01
DAV: 30 -0.310472346300E+03 -0.32265E-02 -0.21231E-03 336 0.291E-02 0.207E-01
DAV: 31 -0.310473882089E+03 -0.15358E-02 -0.47155E-04 291 0.204E-02 0.108E-01
DAV: 32 -0.310475484924E+03 -0.16028E-02 -0.19016E-04 300 0.156E-02 0.309E-02
DAV: 33 -0.310476716006E+03 -0.12311E-02 -0.88168E-05 273 0.121E-02 0.466E-02
DAV: 34 -0.310477439821E+03 -0.72381E-03 -0.44924E-05 237 0.929E-03 0.455E-02
DAV: 35 -0.310477769918E+03 -0.33010E-03 -0.36427E-05 237 0.608E-03 0.269E-02
DAV: 36 -0.310477965837E+03 -0.19592E-03 -0.13786E-05 228 0.501E-03 0.985E-03
DAV: 37 -0.310478071884E+03 -0.10605E-03 -0.71999E-06 219 0.321E-03 0.118E-02
DAV: 38 -0.310478119145E+03 -0.47261E-04 -0.55822E-06 228 0.228E-03 0.670E-03
DAV: 39 -0.310478146580E+03 -0.27435E-04 -0.22998E-06 219 0.182E-03 0.355E-03
DAV: 40 -0.310478159498E+03 -0.12918E-04 -0.97557E-07 210 0.127E-03 0.240E-03
DAV: 41 -0.310478167067E+03 -0.75686E-05 -0.54436E-07 201 0.944E-04
1 F= -.31047817E+03 E0= -.31041720E+03 d E =-.182902E+00