./iterations/neb0_image09_iter23_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145375794481E+04 0.14538E+04 -0.44270E+04 330 0.697E+02
DAV: 2 0.231470424863E+03 -0.12223E+04 -0.11478E+04 426 0.163E+02
DAV: 3 -0.362059516061E+03 -0.59353E+03 -0.58956E+03 354 0.114E+02
DAV: 4 -0.432717360340E+03 -0.70658E+02 -0.70372E+02 318 0.497E+01
DAV: 5 -0.434296545470E+03 -0.15792E+01 -0.15763E+01 318 0.777E+00 0.428E+01
DAV: 6 -0.388426761403E+03 0.45870E+02 -0.14845E+02 309 0.287E+01 0.209E+01
DAV: 7 -0.384970645079E+03 0.34561E+01 -0.12871E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.383506651709E+03 0.14640E+01 -0.18351E+00 345 0.383E+00 0.429E+00
DAV: 9 -0.382977092689E+03 0.52956E+00 -0.14739E+00 336 0.225E+00 0.111E+00
DAV: 10 -0.382907547336E+03 0.69545E-01 -0.16175E-01 327 0.103E+00 0.863E-01
DAV: 11 -0.382875304671E+03 0.32243E-01 -0.73476E-02 327 0.614E-01 0.698E-01
DAV: 12 -0.382863907093E+03 0.11398E-01 -0.15153E-01 390 0.691E-01 0.103E+00
DAV: 13 -0.382839363748E+03 0.24543E-01 -0.18552E-01 345 0.521E-01 0.430E-01
DAV: 14 -0.382833372788E+03 0.59910E-02 -0.12860E-02 318 0.367E-01 0.374E-01
DAV: 15 -0.382831304216E+03 0.20686E-02 -0.16514E-02 309 0.356E-01 0.231E-01
DAV: 16 -0.382836180722E+03 -0.48765E-02 -0.75132E-03 345 0.265E-01 0.156E-01
DAV: 17 -0.382847063754E+03 -0.10883E-01 -0.39614E-03 318 0.242E-01 0.201E-01
DAV: 18 -0.382847647244E+03 -0.58349E-03 -0.21076E-03 327 0.112E-01 0.165E-01
DAV: 19 -0.382855571448E+03 -0.79242E-02 -0.22624E-03 291 0.129E-01 0.900E-02
DAV: 20 -0.382862883885E+03 -0.73124E-02 -0.12655E-03 309 0.109E-01 0.108E-01
DAV: 21 -0.382868801013E+03 -0.59171E-02 -0.99467E-04 327 0.811E-02 0.365E-02
DAV: 22 -0.382873516246E+03 -0.47152E-02 -0.32087E-04 309 0.429E-02 0.360E-02
DAV: 23 -0.382876989908E+03 -0.34737E-02 -0.21223E-04 336 0.314E-02 0.192E-02
DAV: 24 -0.382878342650E+03 -0.13527E-02 -0.52398E-05 300 0.196E-02 0.154E-02
DAV: 25 -0.382879879017E+03 -0.15364E-02 -0.72328E-05 282 0.177E-02 0.115E-02
DAV: 26 -0.382880486010E+03 -0.60699E-03 -0.20442E-05 264 0.110E-02 0.749E-03
DAV: 27 -0.382880875486E+03 -0.38948E-03 -0.22678E-05 264 0.127E-02 0.770E-03
DAV: 28 -0.382881166014E+03 -0.29053E-03 -0.73701E-06 219 0.766E-03 0.492E-03
DAV: 29 -0.382881300618E+03 -0.13460E-03 -0.73603E-06 219 0.581E-03 0.360E-03
DAV: 30 -0.382881383853E+03 -0.83234E-04 -0.27298E-06 210 0.418E-03 0.215E-03
DAV: 31 -0.382881422206E+03 -0.38354E-04 -0.25503E-06 210 0.435E-03 0.185E-03
DAV: 32 -0.382881440953E+03 -0.18747E-04 -0.76853E-07 228 0.205E-03 0.171E-03
DAV: 33 -0.382881467690E+03 -0.26737E-04 -0.10979E-06 192 0.281E-03 0.740E-04
DAV: 34 -0.382881474907E+03 -0.72166E-05 -0.57112E-07 219 0.176E-03
1 F= -.38288147E+03 E0= -.38289879E+03 d E =0.519360E-01