iterations/neb0_image09_iter39_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 0.131187351716E+04 0.13119E+04 -0.42400E+04 321 0.696E+02
DAV: 2 0.231319951510E+03 -0.10806E+04 -0.10293E+04 417 0.158E+02
DAV: 3 -0.258214837403E+03 -0.48953E+03 -0.46745E+03 363 0.105E+02
DAV: 4 -0.336085503901E+03 -0.77871E+02 -0.73022E+02 300 0.444E+01
DAV: 5 -0.339393320165E+03 -0.33078E+01 -0.32670E+01 345 0.899E+00 0.450E+01
DAV: 6 -0.388305465913E+03 -0.48912E+02 -0.68739E+02 282 0.353E+01 0.590E+01
DAV: 7 -0.315475891876E+03 0.72830E+02 -0.13749E+02 312 0.147E+01 0.309E+01
DAV: 8 -0.299670355258E+03 0.15806E+02 -0.54397E+01 291 0.106E+01 0.410E+01
DAV: 9 -0.297073631330E+03 0.25967E+01 -0.11291E+02 309 0.801E+00 0.321E+01
DAV: 10 -0.297745016014E+03 -0.67138E+00 -0.15308E+01 318 0.557E+00 0.274E+01
DAV: 11 -0.295077481647E+03 0.26675E+01 -0.41168E+01 282 0.368E+00 0.240E+01
DAV: 12 -0.290294843280E+03 0.47826E+01 -0.22900E+01 327 0.306E+00 0.232E+01
DAV: 13 -0.294084829922E+03 -0.37900E+01 -0.32663E+01 300 0.312E+00 0.345E+01
DAV: 14 -0.288082079051E+03 0.60028E+01 -0.30234E+01 309 0.183E+00 0.253E+01
DAV: 15 -0.286045827382E+03 0.20363E+01 -0.10876E+01 309 0.198E+00 0.180E+01
DAV: 16 -0.286739284678E+03 -0.69346E+00 -0.44735E+00 291 0.116E+00 0.295E+01
DAV: 17 -0.285639569323E+03 0.10997E+01 -0.12736E+01 309 0.749E-01 0.151E+01
DAV: 18 -0.285548729160E+03 0.90840E-01 -0.53361E+00 309 0.104E+00 0.136E+01
DAV: 19 -0.286081853078E+03 -0.53312E+00 -0.38052E+00 309 0.941E-01 0.186E+01
DAV: 20 -0.285715769478E+03 0.36608E+00 -0.23862E+00 363 0.120E+00 0.180E+01
DAV: 21 -0.285177052119E+03 0.53872E+00 -0.24960E+00 336 0.789E-01 0.917E+00
DAV: 22 -0.285546915098E+03 -0.36986E+00 -0.26850E+00 282 0.552E-01 0.155E+01
DAV: 23 -0.285399241203E+03 0.14767E+00 -0.38627E-01 309 0.339E-01 0.154E+01
DAV: 24 -0.285175854004E+03 0.22339E+00 -0.36648E-01 300 0.355E-01 0.123E+01
DAV: 25 -0.285179120501E+03 -0.32665E-02 -0.72008E-01 336 0.351E-01 0.103E+01
DAV: 26 -0.285184033412E+03 -0.49129E-02 -0.18262E+00 336 0.440E-01 0.159E+01
DAV: 27 -0.285001863520E+03 0.18217E+00 -0.93480E-01 282 0.343E-01 0.866E+00
DAV: 28 -0.285002571233E+03 -0.70771E-03 -0.31412E-01 309 0.202E-01 0.689E+00
DAV: 29 -0.284967541463E+03 0.35030E-01 -0.22980E-01 291 0.180E-01 0.522E+00
DAV: 30 -0.284979974157E+03 -0.12433E-01 -0.42791E-02 300 0.168E-01 0.519E+00
DAV: 31 -0.285014734637E+03 -0.34760E-01 -0.65795E-01 291 0.188E-01 0.843E+00
DAV: 32 -0.284964534067E+03 0.50201E-01 -0.16629E-01 300 0.156E-01 0.130E+00
DAV: 33 -0.284984660464E+03 -0.20126E-01 -0.51690E-03 291 0.102E-01 0.155E+00
DAV: 34 -0.284989366860E+03 -0.47064E-02 -0.25137E-02 300 0.699E-02 0.136E+00
DAV: 35 -0.284993561058E+03 -0.41942E-02 -0.15178E-02 291 0.589E-02 0.112E+00
DAV: 36 -0.285001182116E+03 -0.76211E-02 -0.17151E-02 300 0.590E-02 0.123E+00
DAV: 37 -0.285007113234E+03 -0.59311E-02 -0.12744E-02 291 0.565E-02 0.104E+00
DAV: 38 -0.285010774494E+03 -0.36613E-02 -0.57364E-03 300 0.500E-02 0.180E+00
DAV: 39 -0.285010604943E+03 0.16955E-03 -0.42882E-03 291 0.394E-02 0.513E-01
DAV: 40 -0.285015092005E+03 -0.44871E-02 -0.28481E-03 291 0.371E-02 0.929E-01
DAV: 41 -0.285015735525E+03 -0.64352E-03 -0.42697E-04 264 0.222E-02 0.624E-01
DAV: 42 -0.285017328406E+03 -0.15929E-02 -0.21365E-03 282 0.225E-02 0.384E-01
DAV: 43 -0.285018469053E+03 -0.11406E-02 -0.27218E-04 273 0.207E-02 0.471E-01
DAV: 44 -0.285018678219E+03 -0.20917E-03 -0.74771E-04 255 0.142E-02 0.111E-01
DAV: 45 -0.285019259256E+03 -0.58104E-03 -0.29432E-05 228 0.100E-02 0.150E-01
DAV: 46 -0.285019536764E+03 -0.27751E-03 -0.55103E-05 219 0.528E-03 0.783E-02
DAV: 47 -0.285019873418E+03 -0.33665E-03 -0.29120E-05 237 0.539E-03 0.161E-01
DAV: 48 -0.285019994875E+03 -0.12146E-03 -0.98197E-06 219 0.486E-03 0.605E-02
DAV: 49 -0.285020071313E+03 -0.76438E-04 -0.48950E-06 201 0.283E-03 0.240E-02
DAV: 50 -0.285020155303E+03 -0.83991E-04 -0.35443E-06 201 0.260E-03 0.119E-02
DAV: 51 -0.285020205743E+03 -0.50440E-04 -0.27596E-06 201 0.182E-03 0.184E-02
DAV: 52 -0.285020227966E+03 -0.22223E-04 -0.20214E-06 192 0.142E-03 0.897E-03
DAV: 53 -0.285020256973E+03 -0.29007E-04 -0.18320E-06 192 0.156E-03 0.542E-03
DAV: 54 -0.285020267247E+03 -0.10274E-04 -0.81299E-07 183 0.109E-03 0.389E-03
DAV: 55 -0.285020272907E+03 -0.56605E-05 -0.58373E-07 183 0.797E-04
1 F= -.28502027E+03 E0= -.28484236E+03 d E =-.533742E+00