iterations/neb0_image02_iter59_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 0.144746188231E+04 0.14475E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.223873433903E+03 -0.12236E+04 -0.11466E+04 435 0.163E+02
DAV: 3 -0.363095932090E+03 -0.58697E+03 -0.58384E+03 345 0.114E+02
DAV: 4 -0.433428077743E+03 -0.70332E+02 -0.70086E+02 318 0.508E+01
DAV: 5 -0.434999729509E+03 -0.15717E+01 -0.15692E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389070920729E+03 0.45929E+02 -0.14804E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385599241582E+03 0.34717E+01 -0.13537E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384117941342E+03 0.14813E+01 -0.20580E+00 336 0.384E+00 0.431E+00
DAV: 9 -0.383578477766E+03 0.53946E+00 -0.15951E+00 327 0.243E+00 0.137E+00
DAV: 10 -0.383518575297E+03 0.59902E-01 -0.39663E-01 318 0.116E+00 0.105E+00
DAV: 11 -0.383485358535E+03 0.33217E-01 -0.18677E-01 336 0.649E-01 0.950E-01
DAV: 12 -0.383471332213E+03 0.14026E-01 -0.25493E-01 336 0.740E-01 0.910E-01
DAV: 13 -0.383452323905E+03 0.19008E-01 -0.15221E-01 354 0.550E-01 0.704E-01
DAV: 14 -0.383439937546E+03 0.12386E-01 -0.70258E-02 327 0.382E-01 0.520E-01
DAV: 15 -0.383435751464E+03 0.41861E-02 -0.25243E-02 309 0.439E-01 0.382E-01
DAV: 16 -0.383438058424E+03 -0.23070E-02 -0.18001E-02 318 0.275E-01 0.217E-01
DAV: 17 -0.383444605501E+03 -0.65471E-02 -0.32720E-03 282 0.161E-01 0.167E-01
DAV: 18 -0.383455327990E+03 -0.10722E-01 -0.27071E-03 309 0.150E-01 0.705E-02
DAV: 19 -0.383468452075E+03 -0.13124E-01 -0.20875E-03 309 0.145E-01 0.591E-02
DAV: 20 -0.383474967190E+03 -0.65151E-02 -0.88942E-04 327 0.835E-02 0.630E-02
DAV: 21 -0.383477726180E+03 -0.27590E-02 -0.11405E-04 327 0.284E-02 0.577E-02
DAV: 22 -0.383484198767E+03 -0.64726E-02 -0.56248E-04 300 0.509E-02 0.260E-02
DAV: 23 -0.383485818317E+03 -0.16196E-02 -0.91066E-05 309 0.226E-02 0.281E-02
DAV: 24 -0.383486207297E+03 -0.38898E-03 -0.29103E-05 318 0.159E-02 0.180E-02
DAV: 25 -0.383487230549E+03 -0.10233E-02 -0.31270E-05 255 0.118E-02 0.770E-03
DAV: 26 -0.383488300523E+03 -0.10700E-02 -0.60542E-05 291 0.122E-02 0.448E-03
DAV: 27 -0.383488500820E+03 -0.20030E-03 -0.43315E-06 237 0.587E-03 0.292E-03
DAV: 28 -0.383488716693E+03 -0.21587E-03 -0.88883E-06 219 0.553E-03 0.395E-03
DAV: 29 -0.383488750369E+03 -0.33677E-04 -0.15932E-06 237 0.349E-03 0.300E-03
DAV: 30 -0.383488815460E+03 -0.65090E-04 -0.28787E-06 192 0.400E-03 0.284E-03
DAV: 31 -0.383488834448E+03 -0.18989E-04 -0.95128E-07 219 0.255E-03 0.146E-03
DAV: 32 -0.383488846232E+03 -0.11784E-04 -0.59674E-07 228 0.193E-03 0.631E-04
DAV: 33 -0.383488858159E+03 -0.11927E-04 -0.38352E-07 210 0.138E-03 0.649E-04
DAV: 34 -0.383488865356E+03 -0.71962E-05 -0.25205E-07 219 0.999E-04
1 F= -.38348887E+03 E0= -.38350230E+03 d E =0.402940E-01