iterations/neb0_image06_iter61_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 0.144493717415E+04 0.14449E+04 -0.44217E+04 330 0.697E+02
DAV: 2 0.235504701948E+03 -0.12094E+04 -0.11324E+04 408 0.163E+02
DAV: 3 -0.366666113278E+03 -0.60217E+03 -0.59853E+03 372 0.116E+02
DAV: 4 -0.432269455365E+03 -0.65603E+02 -0.65347E+02 309 0.472E+01
DAV: 5 -0.433688303788E+03 -0.14188E+01 -0.14166E+01 336 0.726E+00 0.426E+01
DAV: 6 -0.387965446150E+03 0.45723E+02 -0.15148E+02 309 0.288E+01 0.208E+01
DAV: 7 -0.384580138602E+03 0.33853E+01 -0.13172E+01 336 0.776E+00 0.104E+01
DAV: 8 -0.383127612927E+03 0.14525E+01 -0.23927E+00 327 0.390E+00 0.433E+00
DAV: 9 -0.382571372115E+03 0.55624E+00 -0.94750E-01 336 0.224E+00 0.127E+00
DAV: 10 -0.382509307603E+03 0.62065E-01 -0.34397E-01 345 0.112E+00 0.809E-01
DAV: 11 -0.382477498906E+03 0.31809E-01 -0.31292E-02 327 0.480E-01 0.546E-01
DAV: 12 -0.382448786330E+03 0.28713E-01 -0.23885E-02 327 0.459E-01 0.409E-01
DAV: 13 -0.382441467268E+03 0.73191E-02 -0.35626E-02 363 0.506E-01 0.426E-01
DAV: 14 -0.382439097365E+03 0.23699E-02 -0.81116E-03 309 0.281E-01 0.222E-01
DAV: 15 -0.382444354633E+03 -0.52573E-02 -0.58805E-03 291 0.206E-01 0.350E-01
DAV: 16 -0.382448982236E+03 -0.46276E-02 -0.50803E-03 309 0.219E-01 0.137E-01
DAV: 17 -0.382456880564E+03 -0.78983E-02 -0.26429E-03 318 0.150E-01 0.903E-02
DAV: 18 -0.382468863681E+03 -0.11983E-01 -0.17144E-03 327 0.144E-01 0.927E-02
DAV: 19 -0.382476682136E+03 -0.78185E-02 -0.15231E-03 318 0.108E-01 0.450E-02
DAV: 20 -0.382480792029E+03 -0.41099E-02 -0.30814E-04 327 0.483E-02 0.378E-02
DAV: 21 -0.382484659415E+03 -0.38674E-02 -0.16460E-04 309 0.285E-02 0.320E-02
DAV: 22 -0.382488023908E+03 -0.33645E-02 -0.17593E-04 318 0.274E-02 0.166E-02
DAV: 23 -0.382490187854E+03 -0.21639E-02 -0.99916E-05 318 0.190E-02 0.148E-02
DAV: 24 -0.382491329310E+03 -0.11415E-02 -0.52836E-05 300 0.132E-02 0.648E-03
DAV: 25 -0.382491817732E+03 -0.48842E-03 -0.11432E-05 237 0.780E-03 0.436E-03
DAV: 26 -0.382492281527E+03 -0.46379E-03 -0.24883E-05 246 0.862E-03 0.587E-03
DAV: 27 -0.382492361171E+03 -0.79644E-04 -0.31176E-06 237 0.573E-03 0.296E-03
DAV: 28 -0.382492471631E+03 -0.11046E-03 -0.47698E-06 201 0.617E-03 0.222E-03
DAV: 29 -0.382492511859E+03 -0.40228E-04 -0.16954E-06 228 0.313E-03 0.176E-03
DAV: 30 -0.382492542554E+03 -0.30695E-04 -0.84675E-07 210 0.212E-03 0.111E-03
DAV: 31 -0.382492567615E+03 -0.25061E-04 -0.10905E-06 210 0.257E-03 0.941E-04
DAV: 32 -0.382492578364E+03 -0.10749E-04 -0.40741E-07 219 0.149E-03 0.729E-04
DAV: 33 -0.382492583717E+03 -0.53534E-05 -0.26856E-07 219 0.123E-03
1 F= -.38249258E+03 E0= -.38250936E+03 d E =0.503416E-01