./iterations/neb0_image05_iter10_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.151225085003E+04 0.15123E+04 -0.43538E+04 322 0.697E+02
DAV: 2 0.252943602193E+03 -0.12593E+04 -0.11818E+04 428 0.164E+02
DAV: 3 -0.356731692092E+03 -0.60968E+03 -0.60582E+03 356 0.118E+02
DAV: 4 -0.433126369235E+03 -0.76395E+02 -0.76069E+02 308 0.521E+01
DAV: 5 -0.434915603029E+03 -0.17892E+01 -0.17858E+01 332 0.809E+00 0.426E+01
DAV: 6 -0.389082180805E+03 0.45833E+02 -0.14910E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385614073617E+03 0.34681E+01 -0.12456E+01 340 0.778E+00 0.104E+01
DAV: 8 -0.384212671124E+03 0.14014E+01 -0.23374E+00 332 0.383E+00 0.431E+00
DAV: 9 -0.383652388942E+03 0.56028E+00 -0.13353E+00 332 0.228E+00 0.111E+00
DAV: 10 -0.383590855956E+03 0.61533E-01 -0.15201E-01 340 0.102E+00 0.857E-01
DAV: 11 -0.383569253240E+03 0.21603E-01 -0.12154E-01 340 0.612E-01 0.765E-01
DAV: 12 -0.383541799548E+03 0.27454E-01 -0.10577E-01 332 0.552E-01 0.424E-01
DAV: 13 -0.383528383111E+03 0.13416E-01 -0.15190E-02 324 0.427E-01 0.286E-01
DAV: 14 -0.383528205844E+03 0.17727E-03 -0.27952E-02 356 0.497E-01 0.503E-01
DAV: 15 -0.383529025378E+03 -0.81953E-03 -0.33333E-02 316 0.298E-01 0.179E-01
DAV: 16 -0.383536211608E+03 -0.71862E-02 -0.12178E-02 292 0.246E-01 0.252E-01
DAV: 17 -0.383544033116E+03 -0.78215E-02 -0.33971E-03 316 0.159E-01 0.860E-02
DAV: 18 -0.383553569288E+03 -0.95362E-02 -0.13267E-03 316 0.151E-01 0.149E-01
DAV: 19 -0.383565287303E+03 -0.11718E-01 -0.18260E-03 308 0.162E-01 0.925E-02
DAV: 20 -0.383567930947E+03 -0.26436E-02 -0.88496E-04 324 0.772E-02 0.719E-02
DAV: 21 -0.383570673393E+03 -0.27424E-02 -0.19486E-04 324 0.390E-02 0.411E-02
DAV: 22 -0.383574104531E+03 -0.34311E-02 -0.25030E-04 324 0.429E-02 0.172E-02
DAV: 23 -0.383576306203E+03 -0.22017E-02 -0.17999E-04 324 0.390E-02 0.312E-02
DAV: 24 -0.383576921064E+03 -0.61486E-03 -0.89341E-05 340 0.288E-02 0.240E-02
DAV: 25 -0.383577250525E+03 -0.32946E-03 -0.11617E-05 236 0.147E-02 0.170E-02
DAV: 26 -0.383577527858E+03 -0.27733E-03 -0.14247E-05 244 0.178E-02 0.132E-02
DAV: 27 -0.383577490813E+03 0.37046E-04 -0.88462E-06 220 0.835E-03 0.131E-02
DAV: 28 -0.383577512533E+03 -0.21721E-04 -0.15404E-06 236 0.367E-03 0.144E-02
DAV: 29 -0.383577799911E+03 -0.28738E-03 -0.16213E-04 348 0.391E-02 0.272E-02
DAV: 30 -0.383577886311E+03 -0.86400E-04 -0.45368E-05 308 0.180E-02 0.326E-02
DAV: 31 -0.383577894597E+03 -0.82862E-05 -0.14470E-05 236 0.211E-02
1 F= -.38357789E+03 E0= -.38359245E+03 d E =0.436514E-01