iterations/neb0_image09_iter8_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 0.145217852401E+04 0.14522E+04 -0.44267E+04 330 0.697E+02
DAV: 2 0.231463437301E+03 -0.12207E+04 -0.11446E+04 426 0.163E+02
DAV: 3 -0.359156789077E+03 -0.59062E+03 -0.58721E+03 345 0.114E+02
DAV: 4 -0.431783165869E+03 -0.72626E+02 -0.72324E+02 318 0.513E+01
DAV: 5 -0.433441903096E+03 -0.16587E+01 -0.16556E+01 318 0.802E+00 0.427E+01
DAV: 6 -0.387813027650E+03 0.45629E+02 -0.14655E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.384358087696E+03 0.34549E+01 -0.13022E+01 336 0.787E+00 0.104E+01
DAV: 8 -0.382919954514E+03 0.14381E+01 -0.21596E+00 336 0.392E+00 0.434E+00
DAV: 9 -0.382367944094E+03 0.55201E+00 -0.99753E-01 336 0.225E+00 0.123E+00
DAV: 10 -0.382313584690E+03 0.54359E-01 -0.32560E-01 336 0.110E+00 0.945E-01
DAV: 11 -0.382279217923E+03 0.34367E-01 -0.36027E-02 336 0.582E-01 0.643E-01
DAV: 12 -0.382260360204E+03 0.18858E-01 -0.70679E-02 363 0.694E-01 0.991E-01
DAV: 13 -0.382242238673E+03 0.18122E-01 -0.10739E-01 336 0.445E-01 0.446E-01
DAV: 14 -0.382237293122E+03 0.49456E-02 -0.19097E-02 327 0.394E-01 0.507E-01
DAV: 15 -0.382232736383E+03 0.45567E-02 -0.23377E-02 318 0.287E-01 0.213E-01
DAV: 16 -0.382237052149E+03 -0.43158E-02 -0.53157E-03 309 0.229E-01 0.148E-01
DAV: 17 -0.382244397145E+03 -0.73450E-02 -0.34066E-03 300 0.207E-01 0.155E-01
DAV: 18 -0.382258248404E+03 -0.13851E-01 -0.52253E-03 345 0.234E-01 0.345E-01
DAV: 19 -0.382262730672E+03 -0.44823E-02 -0.30645E-03 336 0.161E-01 0.738E-02
DAV: 20 -0.382267911910E+03 -0.51812E-02 -0.10587E-03 327 0.735E-02 0.896E-02
DAV: 21 -0.382273425537E+03 -0.55136E-02 -0.39319E-04 309 0.442E-02 0.565E-02
DAV: 22 -0.382278686842E+03 -0.52613E-02 -0.38635E-04 318 0.415E-02 0.322E-02
DAV: 23 -0.382281670557E+03 -0.29837E-02 -0.22864E-04 336 0.287E-02 0.264E-02
DAV: 24 -0.382283105558E+03 -0.14350E-02 -0.69753E-05 309 0.156E-02 0.176E-02
DAV: 25 -0.382284065216E+03 -0.95966E-03 -0.37814E-05 291 0.119E-02 0.871E-03
DAV: 26 -0.382284712834E+03 -0.64762E-03 -0.24120E-05 246 0.933E-03 0.567E-03
DAV: 27 -0.382285018926E+03 -0.30609E-03 -0.10183E-05 219 0.650E-03 0.689E-03
DAV: 28 -0.382285127579E+03 -0.10865E-03 -0.47055E-06 237 0.425E-03 0.750E-03
DAV: 29 -0.382285207944E+03 -0.80365E-04 -0.27110E-06 201 0.384E-03 0.364E-03
DAV: 30 -0.382285256596E+03 -0.48652E-04 -0.27298E-06 219 0.395E-03 0.288E-03
DAV: 31 -0.382285270993E+03 -0.14398E-04 -0.10267E-06 228 0.276E-03 0.121E-03
DAV: 32 -0.382285298552E+03 -0.27558E-04 -0.11530E-06 201 0.196E-03 0.132E-03
DAV: 33 -0.382285301194E+03 -0.26419E-05 -0.28845E-07 237 0.111E-03
1 F= -.38228530E+03 E0= -.38230178E+03 d E =0.494214E-01