iterations/neb0_image04_iter65_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 0.144829733081E+04 0.14483E+04 -0.44210E+04 330 0.697E+02
DAV: 2 0.230766203665E+03 -0.12175E+04 -0.11404E+04 417 0.163E+02
DAV: 3 -0.364517024132E+03 -0.59528E+03 -0.59198E+03 354 0.115E+02
DAV: 4 -0.433441198345E+03 -0.68924E+02 -0.68672E+02 309 0.496E+01
DAV: 5 -0.434985705851E+03 -0.15445E+01 -0.15420E+01 327 0.768E+00 0.427E+01
DAV: 6 -0.389019015456E+03 0.45967E+02 -0.14896E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385542443471E+03 0.34766E+01 -0.13058E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384071549713E+03 0.14709E+01 -0.19396E+00 327 0.378E+00 0.430E+00
DAV: 9 -0.383522958344E+03 0.54859E+00 -0.12765E+00 336 0.214E+00 0.106E+00
DAV: 10 -0.383457529545E+03 0.65429E-01 -0.13458E-01 327 0.917E-01 0.915E-01
DAV: 11 -0.383430074956E+03 0.27455E-01 -0.10264E-01 327 0.610E-01 0.645E-01
DAV: 12 -0.383410258181E+03 0.19817E-01 -0.56307E-02 318 0.428E-01 0.791E-01
DAV: 13 -0.383400668994E+03 0.95892E-02 -0.20512E-01 372 0.483E-01 0.572E-01
DAV: 14 -0.383384835008E+03 0.15834E-01 -0.45808E-02 309 0.461E-01 0.253E-01
DAV: 15 -0.383388375629E+03 -0.35406E-02 -0.93179E-03 345 0.312E-01 0.197E-01
DAV: 16 -0.383395093801E+03 -0.67182E-02 -0.51832E-03 327 0.244E-01 0.147E-01
DAV: 17 -0.383401771429E+03 -0.66776E-02 -0.23469E-03 309 0.143E-01 0.134E-01
DAV: 18 -0.383409345319E+03 -0.75739E-02 -0.19346E-03 327 0.127E-01 0.134E-01
DAV: 19 -0.383416529846E+03 -0.71845E-02 -0.16341E-03 309 0.147E-01 0.162E-01
DAV: 20 -0.383419584173E+03 -0.30543E-02 -0.44241E-04 336 0.628E-02 0.707E-02
DAV: 21 -0.383428061384E+03 -0.84772E-02 -0.66710E-04 300 0.612E-02 0.331E-02
DAV: 22 -0.383433083825E+03 -0.50224E-02 -0.32993E-04 327 0.436E-02 0.565E-02
DAV: 23 -0.383433886124E+03 -0.80230E-03 -0.37697E-05 336 0.180E-02 0.396E-02
DAV: 24 -0.383436307325E+03 -0.24212E-02 -0.16106E-04 309 0.271E-02 0.169E-02
DAV: 25 -0.383438074492E+03 -0.17672E-02 -0.11498E-04 309 0.205E-02 0.207E-02
DAV: 26 -0.383438448336E+03 -0.37384E-03 -0.32545E-05 255 0.114E-02 0.182E-02
DAV: 27 -0.383438640197E+03 -0.19186E-03 -0.88627E-06 219 0.790E-03 0.134E-02
DAV: 28 -0.383438999760E+03 -0.35956E-03 -0.14387E-05 219 0.721E-03 0.767E-03
DAV: 29 -0.383439205066E+03 -0.20531E-03 -0.97755E-06 219 0.628E-03 0.712E-03
DAV: 30 -0.383439286505E+03 -0.81439E-04 -0.42763E-06 228 0.458E-03 0.558E-03
DAV: 31 -0.383439324465E+03 -0.37960E-04 -0.17313E-06 219 0.331E-03 0.314E-03
DAV: 32 -0.383439370245E+03 -0.45780E-04 -0.30782E-06 201 0.445E-03 0.343E-03
DAV: 33 -0.383439397637E+03 -0.27392E-04 -0.13184E-06 219 0.275E-03 0.231E-03
DAV: 34 -0.383439402798E+03 -0.51612E-05 -0.44663E-07 237 0.147E-03
1 F= -.38343940E+03 E0= -.38345636E+03 d E =0.508748E-01