iterations/neb0_image01_iter61_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 0.144750874562E+04 0.14475E+04 -0.44191E+04 330 0.697E+02
DAV: 2 0.223978406032E+03 -0.12235E+04 -0.11465E+04 435 0.163E+02
DAV: 3 -0.363206175096E+03 -0.58718E+03 -0.58382E+03 345 0.114E+02
DAV: 4 -0.433519940134E+03 -0.70314E+02 -0.70042E+02 318 0.508E+01
DAV: 5 -0.435092674094E+03 -0.15727E+01 -0.15703E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389092847286E+03 0.46000E+02 -0.14834E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385620752606E+03 0.34721E+01 -0.13193E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384154911458E+03 0.14658E+01 -0.23016E+00 336 0.383E+00 0.433E+00
DAV: 9 -0.383604896682E+03 0.55001E+00 -0.15294E+00 327 0.235E+00 0.123E+00
DAV: 10 -0.383527598547E+03 0.77298E-01 -0.14900E-01 327 0.106E+00 0.100E+00
DAV: 11 -0.383509302651E+03 0.18296E-01 -0.38039E-01 327 0.939E-01 0.737E-01
DAV: 12 -0.383484400547E+03 0.24902E-01 -0.43356E-02 318 0.508E-01 0.683E-01
DAV: 13 -0.383477471861E+03 0.69287E-02 -0.85087E-02 345 0.401E-01 0.591E-01
DAV: 14 -0.383462588784E+03 0.14883E-01 -0.39517E-02 327 0.411E-01 0.486E-01
DAV: 15 -0.383460637699E+03 0.19511E-02 -0.54341E-02 327 0.377E-01 0.496E-01
DAV: 16 -0.383459878077E+03 0.75962E-03 -0.16342E-02 318 0.287E-01 0.162E-01
DAV: 17 -0.383468549637E+03 -0.86716E-02 -0.54582E-03 345 0.238E-01 0.161E-01
DAV: 18 -0.383474521850E+03 -0.59722E-02 -0.20491E-03 300 0.133E-01 0.127E-01
DAV: 19 -0.383482804001E+03 -0.82822E-02 -0.39699E-03 345 0.134E-01 0.205E-01
DAV: 20 -0.383488673092E+03 -0.58691E-02 -0.31747E-03 309 0.115E-01 0.720E-02
DAV: 21 -0.383493515784E+03 -0.48427E-02 -0.74998E-04 327 0.708E-02 0.847E-02
DAV: 22 -0.383501047929E+03 -0.75321E-02 -0.17929E-03 309 0.661E-02 0.872E-02
DAV: 23 -0.383503558845E+03 -0.25109E-02 -0.94750E-04 309 0.450E-02 0.356E-02
DAV: 24 -0.383505140518E+03 -0.15817E-02 -0.99751E-05 318 0.254E-02 0.390E-02
DAV: 25 -0.383507289520E+03 -0.21490E-02 -0.29301E-04 309 0.299E-02 0.355E-02
DAV: 26 -0.383508741553E+03 -0.14520E-02 -0.68031E-05 327 0.170E-02 0.237E-02
DAV: 27 -0.383509630331E+03 -0.88878E-03 -0.60031E-05 291 0.138E-02 0.937E-03
DAV: 28 -0.383510200602E+03 -0.57027E-03 -0.32571E-05 291 0.121E-02 0.112E-02
DAV: 29 -0.383510365343E+03 -0.16474E-03 -0.57212E-06 237 0.589E-03 0.673E-03
DAV: 30 -0.383510473623E+03 -0.10828E-03 -0.67691E-06 219 0.557E-03 0.451E-03
DAV: 31 -0.383510541637E+03 -0.68014E-04 -0.18964E-06 228 0.372E-03 0.197E-03
DAV: 32 -0.383510595784E+03 -0.54147E-04 -0.17433E-06 201 0.292E-03 0.237E-03
DAV: 33 -0.383510631538E+03 -0.35754E-04 -0.11659E-06 219 0.216E-03 0.141E-03
DAV: 34 -0.383510648591E+03 -0.17053E-04 -0.85009E-07 219 0.199E-03 0.179E-03
DAV: 35 -0.383510653727E+03 -0.51359E-05 -0.29088E-07 228 0.125E-03
1 F= -.38351065E+03 E0= -.38352719E+03 d E =0.496172E-01