./iterations/neb0_image05_iter25_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 0.151219172318E+04 0.15122E+04 -0.43538E+04 322 0.697E+02
DAV: 2 0.253337711655E+03 -0.12589E+04 -0.11816E+04 428 0.164E+02
DAV: 3 -0.354574269442E+03 -0.60791E+03 -0.60422E+03 348 0.118E+02
DAV: 4 -0.433023787918E+03 -0.78450E+02 -0.78115E+02 308 0.535E+01
DAV: 5 -0.434889511216E+03 -0.18657E+01 -0.18623E+01 332 0.832E+00 0.426E+01
DAV: 6 -0.389113424858E+03 0.45776E+02 -0.14821E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385642992112E+03 0.34704E+01 -0.12598E+01 340 0.781E+00 0.104E+01
DAV: 8 -0.384234784134E+03 0.14082E+01 -0.25898E+00 332 0.383E+00 0.424E+00
DAV: 9 -0.383661885751E+03 0.57290E+00 -0.64931E-01 332 0.199E+00 0.951E-01
DAV: 10 -0.383615516386E+03 0.46369E-01 -0.20200E-01 340 0.979E-01 0.936E-01
DAV: 11 -0.383598408336E+03 0.17108E-01 -0.13734E-01 348 0.454E-01 0.610E-01
DAV: 12 -0.383572363410E+03 0.26045E-01 -0.18519E-02 316 0.420E-01 0.327E-01
DAV: 13 -0.383556065412E+03 0.16298E-01 -0.25540E-02 316 0.520E-01 0.214E-01
DAV: 14 -0.383564645708E+03 -0.85803E-02 -0.21567E-02 308 0.474E-01 0.178E-01
DAV: 15 -0.383572182974E+03 -0.75373E-02 -0.60433E-03 300 0.237E-01 0.124E-01
DAV: 16 -0.383582402328E+03 -0.10219E-01 -0.28173E-03 292 0.160E-01 0.666E-02
DAV: 17 -0.383592445562E+03 -0.10043E-01 -0.20862E-03 300 0.168E-01 0.537E-02
DAV: 18 -0.383598909779E+03 -0.64642E-02 -0.13730E-03 324 0.117E-01 0.390E-02
DAV: 19 -0.383603643309E+03 -0.47335E-02 -0.25711E-04 292 0.540E-02 0.275E-02
DAV: 20 -0.383609019415E+03 -0.53761E-02 -0.37523E-04 316 0.677E-02 0.143E-02
DAV: 21 -0.383611454210E+03 -0.24348E-02 -0.26858E-04 292 0.496E-02 0.129E-02
DAV: 22 -0.383612388798E+03 -0.93459E-03 -0.77560E-05 308 0.252E-02 0.973E-03
DAV: 23 -0.383612933550E+03 -0.54475E-03 -0.18020E-05 236 0.137E-02 0.589E-03
DAV: 24 -0.383613400751E+03 -0.46720E-03 -0.30938E-05 268 0.154E-02 0.468E-03
DAV: 25 -0.383613550883E+03 -0.15013E-03 -0.10813E-05 236 0.987E-03 0.460E-03
DAV: 26 -0.383613621568E+03 -0.70684E-04 -0.49962E-06 228 0.743E-03 0.342E-03
DAV: 27 -0.383613660759E+03 -0.39191E-04 -0.26984E-06 220 0.471E-03 0.234E-03
DAV: 28 -0.383613699175E+03 -0.38416E-04 -0.20545E-06 220 0.344E-03 0.940E-04
DAV: 29 -0.383613721355E+03 -0.22180E-04 -0.11923E-06 220 0.241E-03 0.954E-04
DAV: 30 -0.383613730817E+03 -0.94620E-05 -0.43647E-07 228 0.139E-03
1 F= -.38361373E+03 E0= -.38362218E+03 d E =0.253386E-01