iterations/neb0_image07_iter5_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.150750429903E+04 0.15075E+04 -0.43562E+04 322 0.697E+02
DAV: 2 0.249501268914E+03 -0.12580E+04 -0.11830E+04 428 0.164E+02
DAV: 3 -0.355722437700E+03 -0.60522E+03 -0.60126E+03 348 0.117E+02
DAV: 4 -0.432829831275E+03 -0.77107E+02 -0.76780E+02 316 0.531E+01
DAV: 5 -0.434639393183E+03 -0.18096E+01 -0.18065E+01 332 0.817E+00 0.426E+01
DAV: 6 -0.388697920859E+03 0.45941E+02 -0.14887E+02 324 0.285E+01 0.208E+01
DAV: 7 -0.385193271878E+03 0.35046E+01 -0.12753E+01 332 0.775E+00 0.104E+01
DAV: 8 -0.383783241493E+03 0.14100E+01 -0.27310E+00 332 0.394E+00 0.431E+00
DAV: 9 -0.383216314371E+03 0.56693E+00 -0.60855E-01 332 0.194E+00 0.106E+00
DAV: 10 -0.383174101854E+03 0.42213E-01 -0.45886E-01 340 0.116E+00 0.118E+00
DAV: 11 -0.383145702763E+03 0.28399E-01 -0.17213E-01 316 0.559E-01 0.752E-01
DAV: 12 -0.383137493065E+03 0.82097E-02 -0.59125E-02 332 0.364E-01 0.563E-01
DAV: 13 -0.383123652896E+03 0.13840E-01 -0.10089E-01 316 0.469E-01 0.591E-01
DAV: 14 -0.383115435614E+03 0.82173E-02 -0.55555E-02 308 0.330E-01 0.218E-01
DAV: 15 -0.383117756712E+03 -0.23211E-02 -0.90461E-03 300 0.270E-01 0.201E-01
DAV: 16 -0.383127239006E+03 -0.94823E-02 -0.36236E-03 316 0.178E-01 0.134E-01
DAV: 17 -0.383141602145E+03 -0.14363E-01 -0.38136E-03 292 0.186E-01 0.708E-02
DAV: 18 -0.383149465397E+03 -0.78633E-02 -0.21510E-03 316 0.126E-01 0.798E-02
DAV: 19 -0.383156003393E+03 -0.65380E-02 -0.58094E-04 324 0.559E-02 0.539E-02
DAV: 20 -0.383163680835E+03 -0.76774E-02 -0.52159E-04 300 0.479E-02 0.299E-02
DAV: 21 -0.383168039017E+03 -0.43582E-02 -0.21021E-04 308 0.334E-02 0.238E-02
DAV: 22 -0.383170795562E+03 -0.27565E-02 -0.19535E-04 324 0.308E-02 0.156E-02
DAV: 23 -0.383172475566E+03 -0.16800E-02 -0.75913E-05 300 0.196E-02 0.930E-03
DAV: 24 -0.383173329451E+03 -0.85389E-03 -0.36273E-05 276 0.137E-02 0.777E-03
DAV: 25 -0.383173874857E+03 -0.54541E-03 -0.21922E-05 252 0.102E-02 0.444E-03
DAV: 26 -0.383174188746E+03 -0.31389E-03 -0.15674E-05 236 0.786E-03 0.443E-03
DAV: 27 -0.383174302745E+03 -0.11400E-03 -0.45006E-06 228 0.579E-03 0.205E-03
DAV: 28 -0.383174354552E+03 -0.51806E-04 -0.33592E-06 220 0.458E-03 0.228E-03
DAV: 29 -0.383174388361E+03 -0.33809E-04 -0.13541E-06 212 0.310E-03 0.121E-03
DAV: 30 -0.383174427640E+03 -0.39279E-04 -0.28748E-06 220 0.405E-03 0.190E-03
DAV: 31 -0.383174428776E+03 -0.11363E-05 -0.59668E-07 236 0.196E-03
1 F= -.38317443E+03 E0= -.38318784E+03 d E =0.402434E-01