./iterations/neb0_image07_iter9_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 0.145272703412E+04 0.14527E+04 -0.44247E+04 330 0.697E+02
DAV: 2 0.229075015439E+03 -0.12237E+04 -0.11476E+04 426 0.163E+02
DAV: 3 -0.361227277728E+03 -0.59030E+03 -0.58689E+03 345 0.114E+02
DAV: 4 -0.432978527170E+03 -0.71751E+02 -0.71489E+02 318 0.512E+01
DAV: 5 -0.434600221398E+03 -0.16217E+01 -0.16190E+01 318 0.792E+00 0.427E+01
DAV: 6 -0.388703318508E+03 0.45897E+02 -0.14747E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.385226931070E+03 0.34764E+01 -0.13229E+01 345 0.784E+00 0.104E+01
DAV: 8 -0.383794047958E+03 0.14329E+01 -0.23650E+00 345 0.390E+00 0.436E+00
DAV: 9 -0.383249027793E+03 0.54502E+00 -0.14305E+00 345 0.236E+00 0.126E+00
DAV: 10 -0.383177457336E+03 0.71570E-01 -0.28666E-01 336 0.115E+00 0.112E+00
DAV: 11 -0.383158676334E+03 0.18781E-01 -0.21750E-01 345 0.652E-01 0.748E-01
DAV: 12 -0.383127962931E+03 0.30713E-01 -0.33442E-02 318 0.442E-01 0.570E-01
DAV: 13 -0.383117857784E+03 0.10105E-01 -0.46233E-02 390 0.489E-01 0.613E-01
DAV: 14 -0.383106003526E+03 0.11854E-01 -0.38561E-02 327 0.449E-01 0.517E-01
DAV: 15 -0.383106171189E+03 -0.16766E-03 -0.26503E-02 327 0.345E-01 0.389E-01
DAV: 16 -0.383107281901E+03 -0.11107E-02 -0.17070E-02 291 0.318E-01 0.234E-01
DAV: 17 -0.383111816215E+03 -0.45343E-02 -0.65148E-03 318 0.207E-01 0.223E-01
DAV: 18 -0.383122734721E+03 -0.10919E-01 -0.24814E-03 291 0.160E-01 0.157E-01
DAV: 19 -0.383130987062E+03 -0.82523E-02 -0.24312E-03 309 0.146E-01 0.805E-02
DAV: 20 -0.383137200504E+03 -0.62134E-02 -0.11471E-03 336 0.104E-01 0.103E-01
DAV: 21 -0.383142113038E+03 -0.49125E-02 -0.48705E-04 354 0.624E-02 0.418E-02
DAV: 22 -0.383145996664E+03 -0.38836E-02 -0.19963E-04 318 0.352E-02 0.264E-02
DAV: 23 -0.383151257367E+03 -0.52607E-02 -0.37525E-04 291 0.355E-02 0.173E-02
DAV: 24 -0.383152757656E+03 -0.15003E-02 -0.78643E-05 300 0.166E-02 0.124E-02
DAV: 25 -0.383154052371E+03 -0.12947E-02 -0.55956E-05 273 0.148E-02 0.864E-03
DAV: 26 -0.383154890212E+03 -0.83784E-03 -0.40865E-05 291 0.111E-02 0.566E-03
DAV: 27 -0.383155081805E+03 -0.19159E-03 -0.43988E-06 237 0.647E-03 0.291E-03
DAV: 28 -0.383155234404E+03 -0.15260E-03 -0.53360E-06 192 0.527E-03 0.407E-03
DAV: 29 -0.383155328116E+03 -0.93712E-04 -0.22722E-06 219 0.411E-03 0.233E-03
DAV: 30 -0.383155394008E+03 -0.65892E-04 -0.34987E-06 201 0.443E-03 0.237E-03
DAV: 31 -0.383155409260E+03 -0.15252E-04 -0.88568E-07 228 0.285E-03 0.127E-03
DAV: 32 -0.383155422467E+03 -0.13207E-04 -0.11618E-06 210 0.267E-03 0.146E-03
DAV: 33 -0.383155428874E+03 -0.64076E-05 -0.29977E-07 228 0.193E-03
1 F= -.38315543E+03 E0= -.38317207E+03 d E =0.499131E-01