iterations/neb0_image02_iter68_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144846721679E+04 0.14485E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224321822236E+03 -0.12241E+04 -0.11474E+04 435 0.163E+02
DAV: 3 -0.362942594574E+03 -0.58726E+03 -0.58411E+03 345 0.114E+02
DAV: 4 -0.433497392546E+03 -0.70555E+02 -0.70323E+02 309 0.508E+01
DAV: 5 -0.435078774903E+03 -0.15814E+01 -0.15787E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389016088698E+03 0.46063E+02 -0.14830E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385564188273E+03 0.34519E+01 -0.13950E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.384089177921E+03 0.14750E+01 -0.20784E+00 336 0.386E+00 0.436E+00
DAV: 9 -0.383553465700E+03 0.53571E+00 -0.18176E+00 354 0.245E+00 0.144E+00
DAV: 10 -0.383482705865E+03 0.70760E-01 -0.33236E-01 327 0.115E+00 0.107E+00
DAV: 11 -0.383455607167E+03 0.27099E-01 -0.26174E-01 336 0.675E-01 0.103E+00
DAV: 12 -0.383437753690E+03 0.17853E-01 -0.32463E-01 345 0.772E-01 0.863E-01
DAV: 13 -0.383417079342E+03 0.20674E-01 -0.12415E-01 363 0.544E-01 0.649E-01
DAV: 14 -0.383405588849E+03 0.11490E-01 -0.38509E-02 336 0.351E-01 0.433E-01
DAV: 15 -0.383402415752E+03 0.31731E-02 -0.25440E-02 318 0.434E-01 0.431E-01
DAV: 16 -0.383403326989E+03 -0.91124E-03 -0.17352E-02 318 0.283E-01 0.210E-01
DAV: 17 -0.383409568607E+03 -0.62416E-02 -0.47065E-03 282 0.203E-01 0.165E-01
DAV: 18 -0.383415751975E+03 -0.61834E-02 -0.29198E-03 345 0.173E-01 0.124E-01
DAV: 19 -0.383427048517E+03 -0.11297E-01 -0.83455E-03 390 0.210E-01 0.334E-01
DAV: 20 -0.383425357219E+03 0.16913E-02 -0.17099E-03 327 0.103E-01 0.125E-01
DAV: 21 -0.383430475045E+03 -0.51178E-02 -0.71727E-04 300 0.721E-02 0.127E-01
DAV: 22 -0.383437692806E+03 -0.72178E-02 -0.80798E-04 309 0.776E-02 0.136E-01
DAV: 23 -0.383442246656E+03 -0.45539E-02 -0.57368E-04 318 0.647E-02 0.409E-02
DAV: 24 -0.383444803089E+03 -0.25564E-02 -0.16511E-04 327 0.327E-02 0.373E-02
DAV: 25 -0.383446719560E+03 -0.19165E-02 -0.91626E-05 309 0.231E-02 0.448E-02
DAV: 26 -0.383448912892E+03 -0.21933E-02 -0.99587E-05 309 0.244E-02 0.136E-02
DAV: 27 -0.383449806403E+03 -0.89351E-03 -0.50103E-05 318 0.152E-02 0.155E-02
DAV: 28 -0.383450420898E+03 -0.61449E-03 -0.16308E-05 228 0.993E-03 0.685E-03
DAV: 29 -0.383451066416E+03 -0.64552E-03 -0.35107E-05 282 0.975E-03 0.766E-03
DAV: 30 -0.383451232211E+03 -0.16579E-03 -0.56035E-06 228 0.723E-03 0.598E-03
DAV: 31 -0.383451307664E+03 -0.75454E-04 -0.39794E-06 219 0.506E-03 0.302E-03
DAV: 32 -0.383451332755E+03 -0.25090E-04 -0.13357E-06 228 0.324E-03 0.243E-03
DAV: 33 -0.383451389287E+03 -0.56532E-04 -0.28025E-06 192 0.463E-03 0.351E-03
DAV: 34 -0.383451406654E+03 -0.17367E-04 -0.86083E-07 219 0.241E-03 0.171E-03
DAV: 35 -0.383451416544E+03 -0.98904E-05 -0.73604E-07 219 0.232E-03
1 F= -.38345142E+03 E0= -.38346816E+03 d E =0.502275E-01