./iterations/neb0_image04_iter20_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 0.151120701643E+04 0.15112E+04 -0.43533E+04 322 0.697E+02
DAV: 2 0.254118983315E+03 -0.12571E+04 -0.11803E+04 428 0.164E+02
DAV: 3 -0.354348052028E+03 -0.60847E+03 -0.60480E+03 348 0.118E+02
DAV: 4 -0.433107722173E+03 -0.78760E+02 -0.78418E+02 316 0.536E+01
DAV: 5 -0.434965475379E+03 -0.18578E+01 -0.18544E+01 340 0.831E+00 0.426E+01
DAV: 6 -0.389156288009E+03 0.45809E+02 -0.14850E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385710915955E+03 0.34454E+01 -0.12770E+01 340 0.781E+00 0.104E+01
DAV: 8 -0.384309521451E+03 0.14014E+01 -0.33256E+00 332 0.393E+00 0.433E+00
DAV: 9 -0.383733832093E+03 0.57569E+00 -0.69635E-01 332 0.209E+00 0.990E-01
DAV: 10 -0.383677626906E+03 0.56205E-01 -0.19714E-01 348 0.993E-01 0.888E-01
DAV: 11 -0.383661001996E+03 0.16625E-01 -0.13115E-01 340 0.469E-01 0.615E-01
DAV: 12 -0.383634400916E+03 0.26601E-01 -0.19995E-02 308 0.428E-01 0.365E-01
DAV: 13 -0.383618113247E+03 0.16288E-01 -0.29409E-02 308 0.527E-01 0.235E-01
DAV: 14 -0.383625427332E+03 -0.73141E-02 -0.23788E-02 308 0.445E-01 0.185E-01
DAV: 15 -0.383631188106E+03 -0.57608E-02 -0.49648E-03 316 0.226E-01 0.120E-01
DAV: 16 -0.383643853653E+03 -0.12666E-01 -0.30656E-03 284 0.174E-01 0.626E-02
DAV: 17 -0.383653618980E+03 -0.97653E-02 -0.20558E-03 324 0.153E-01 0.477E-02
DAV: 18 -0.383662733070E+03 -0.91141E-02 -0.13234E-03 316 0.112E-01 0.361E-02
DAV: 19 -0.383666762996E+03 -0.40299E-02 -0.25487E-04 316 0.409E-02 0.238E-02
DAV: 20 -0.383671348583E+03 -0.45856E-02 -0.28589E-04 300 0.390E-02 0.129E-02
DAV: 21 -0.383674202367E+03 -0.28538E-02 -0.17987E-04 300 0.278E-02 0.103E-02
DAV: 22 -0.383675111282E+03 -0.90892E-03 -0.55843E-05 300 0.194E-02 0.750E-03
DAV: 23 -0.383675650227E+03 -0.53894E-03 -0.13810E-05 236 0.100E-02 0.452E-03
DAV: 24 -0.383676063450E+03 -0.41322E-03 -0.25673E-05 252 0.113E-02 0.349E-03
DAV: 25 -0.383676155824E+03 -0.92374E-04 -0.31038E-06 236 0.536E-03 0.260E-03
DAV: 26 -0.383676267126E+03 -0.11130E-03 -0.61688E-06 212 0.687E-03 0.239E-03
DAV: 27 -0.383676294881E+03 -0.27756E-04 -0.13875E-06 236 0.315E-03 0.207E-03
DAV: 28 -0.383676333165E+03 -0.38284E-04 -0.21813E-06 203 0.448E-03 0.109E-03
DAV: 29 -0.383676351030E+03 -0.17865E-04 -0.89020E-07 220 0.231E-03 0.897E-04
DAV: 30 -0.383676356932E+03 -0.59013E-05 -0.31781E-07 236 0.133E-03
1 F= -.38367636E+03 E0= -.38368484E+03 d E =0.254612E-01