iterations/neb0_image07_iter70_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 0.145176292289E+04 0.14518E+04 -0.44254E+04 330 0.697E+02
DAV: 2 0.227639014668E+03 -0.12241E+04 -0.11473E+04 426 0.163E+02
DAV: 3 -0.365080216565E+03 -0.59272E+03 -0.58930E+03 363 0.114E+02
DAV: 4 -0.432726363310E+03 -0.67646E+02 -0.67379E+02 300 0.489E+01
DAV: 5 -0.434236372231E+03 -0.15100E+01 -0.15070E+01 336 0.752E+00 0.429E+01
DAV: 6 -0.387898636764E+03 0.46338E+02 -0.15064E+02 309 0.288E+01 0.210E+01
DAV: 7 -0.384395541305E+03 0.35031E+01 -0.13174E+01 354 0.781E+00 0.105E+01
DAV: 8 -0.382935792308E+03 0.14597E+01 -0.19931E+00 336 0.385E+00 0.434E+00
DAV: 9 -0.382380880951E+03 0.55491E+00 -0.15432E+00 336 0.239E+00 0.115E+00
DAV: 10 -0.382317306166E+03 0.63575E-01 -0.13906E-01 327 0.101E+00 0.880E-01
DAV: 11 -0.382290895315E+03 0.26411E-01 -0.11578E-01 318 0.683E-01 0.585E-01
DAV: 12 -0.382265666745E+03 0.25229E-01 -0.23569E-02 363 0.451E-01 0.480E-01
DAV: 13 -0.382255222667E+03 0.10444E-01 -0.68925E-02 381 0.510E-01 0.649E-01
DAV: 14 -0.382249768864E+03 0.54538E-02 -0.27683E-02 345 0.300E-01 0.259E-01
DAV: 15 -0.382253109581E+03 -0.33407E-02 -0.17788E-02 300 0.298E-01 0.284E-01
DAV: 16 -0.382256637587E+03 -0.35280E-02 -0.61845E-03 327 0.210E-01 0.175E-01
DAV: 17 -0.382264307525E+03 -0.76699E-02 -0.22170E-03 309 0.149E-01 0.801E-02
DAV: 18 -0.382277923606E+03 -0.13616E-01 -0.22633E-03 309 0.171E-01 0.600E-02
DAV: 19 -0.382285707438E+03 -0.77838E-02 -0.14597E-03 336 0.105E-01 0.728E-02
DAV: 20 -0.382289760728E+03 -0.40533E-02 -0.24140E-04 336 0.392E-02 0.598E-02
DAV: 21 -0.382294698531E+03 -0.49378E-02 -0.25985E-04 327 0.336E-02 0.266E-02
DAV: 22 -0.382297500680E+03 -0.28021E-02 -0.14304E-04 327 0.233E-02 0.176E-02
DAV: 23 -0.382299941234E+03 -0.24406E-02 -0.13652E-04 291 0.213E-02 0.984E-03
DAV: 24 -0.382300489092E+03 -0.54786E-03 -0.16284E-05 237 0.840E-03 0.979E-03
DAV: 25 -0.382300973752E+03 -0.48466E-03 -0.18154E-05 219 0.788E-03 0.400E-03
DAV: 26 -0.382301223752E+03 -0.25000E-03 -0.10310E-05 228 0.578E-03 0.321E-03
DAV: 27 -0.382301263426E+03 -0.39674E-04 -0.14247E-06 246 0.287E-03 0.214E-03
DAV: 28 -0.382301375720E+03 -0.11229E-03 -0.39408E-06 192 0.464E-03 0.193E-03
DAV: 29 -0.382301388914E+03 -0.13194E-04 -0.10935E-06 228 0.236E-03 0.187E-03
DAV: 30 -0.382301405769E+03 -0.16855E-04 -0.57259E-07 201 0.159E-03 0.983E-04
DAV: 31 -0.382301428206E+03 -0.22436E-04 -0.82774E-07 201 0.164E-03 0.598E-04
DAV: 32 -0.382301432181E+03 -0.39753E-05 -0.20852E-07 228 0.871E-04
1 F= -.38230143E+03 E0= -.38231471E+03 d E =0.398349E-01