./iterations/neb0_image03_iter44_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.151044346189E+04 0.15104E+04 -0.43528E+04 322 0.697E+02
DAV: 2 0.254412180563E+03 -0.12560E+04 -0.11785E+04 428 0.164E+02
DAV: 3 -0.354517162728E+03 -0.60893E+03 -0.60479E+03 348 0.118E+02
DAV: 4 -0.433156968647E+03 -0.78640E+02 -0.78316E+02 308 0.536E+01
DAV: 5 -0.435020814272E+03 -0.18638E+01 -0.18605E+01 332 0.832E+00 0.426E+01
DAV: 6 -0.389195408121E+03 0.45825E+02 -0.14858E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385741644888E+03 0.34538E+01 -0.12552E+01 340 0.777E+00 0.104E+01
DAV: 8 -0.384321606838E+03 0.14200E+01 -0.20103E+00 332 0.372E+00 0.419E+00
DAV: 9 -0.383769706412E+03 0.55190E+00 -0.81561E-01 324 0.199E+00 0.130E+00
DAV: 10 -0.383728952301E+03 0.40754E-01 -0.57272E-01 348 0.928E-01 0.764E-01
DAV: 11 -0.383697031706E+03 0.31921E-01 -0.35562E-02 316 0.499E-01 0.509E-01
DAV: 12 -0.383675736847E+03 0.21295E-01 -0.30565E-02 332 0.487E-01 0.436E-01
DAV: 13 -0.383664288047E+03 0.11449E-01 -0.35308E-02 364 0.459E-01 0.279E-01
DAV: 14 -0.383662198776E+03 0.20893E-02 -0.11521E-02 316 0.347E-01 0.216E-01
DAV: 15 -0.383675909858E+03 -0.13711E-01 -0.72415E-02 332 0.380E-01 0.737E-01
DAV: 16 -0.383671380092E+03 0.45298E-02 -0.50634E-02 332 0.223E-01 0.124E-01
DAV: 17 -0.383685280810E+03 -0.13901E-01 -0.34792E-03 284 0.202E-01 0.319E-01
DAV: 18 -0.383689926576E+03 -0.46458E-02 -0.20116E-03 324 0.126E-01 0.134E-01
DAV: 19 -0.383699738888E+03 -0.98123E-02 -0.11258E-03 340 0.113E-01 0.451E-02
DAV: 20 -0.383706195724E+03 -0.64568E-02 -0.54497E-04 372 0.810E-02 0.764E-02
DAV: 21 -0.383709872634E+03 -0.36769E-02 -0.22587E-04 340 0.516E-02 0.661E-02
DAV: 22 -0.383711870037E+03 -0.19974E-02 -0.13983E-04 364 0.405E-02 0.451E-02
DAV: 23 -0.383713218249E+03 -0.13482E-02 -0.11188E-04 364 0.373E-02 0.387E-02
DAV: 24 -0.383713155398E+03 0.62851E-04 -0.33172E-05 308 0.142E-02 0.395E-02
DAV: 25 -0.383713167932E+03 -0.12533E-04 -0.50146E-07 244 0.179E-03 0.399E-02
DAV: 26 -0.383713268534E+03 -0.10060E-03 -0.49220E-06 204 0.714E-03 0.415E-02
DAV: 27 -0.383713810400E+03 -0.54187E-03 -0.59880E-04 324 0.771E-02 0.548E-02
DAV: 28 -0.383713815205E+03 -0.48049E-05 -0.16372E-04 316 0.318E-02 0.645E-02
DAV: 29 -0.383713903418E+03 -0.88213E-04 -0.34842E-06 220 0.531E-03 0.665E-02
DAV: 30 -0.383713909722E+03 -0.63035E-05 -0.21647E-06 220 0.757E-03
1 F= -.38371391E+03 E0= -.38372914E+03 d E =0.456781E-01