iterations/neb0_image01_iter72_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 0.144636347878E+04 0.14464E+04 -0.44188E+04 330 0.697E+02
DAV: 2 0.224141789183E+03 -0.12222E+04 -0.11451E+04 435 0.163E+02
DAV: 3 -0.362857753770E+03 -0.58700E+03 -0.58355E+03 345 0.114E+02
DAV: 4 -0.433384873943E+03 -0.70527E+02 -0.70251E+02 318 0.508E+01
DAV: 5 -0.434959407195E+03 -0.15745E+01 -0.15720E+01 318 0.779E+00 0.425E+01
DAV: 6 -0.389022114014E+03 0.45937E+02 -0.14786E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385567862370E+03 0.34543E+01 -0.13747E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.384102385306E+03 0.14655E+01 -0.21146E+00 327 0.384E+00 0.445E+00
DAV: 9 -0.383567609437E+03 0.53478E+00 -0.23695E+00 372 0.260E+00 0.156E+00
DAV: 10 -0.383485284318E+03 0.82325E-01 -0.39207E-01 327 0.124E+00 0.109E+00
DAV: 11 -0.383451863951E+03 0.33420E-01 -0.67403E-02 336 0.687E-01 0.685E-01
DAV: 12 -0.383420933586E+03 0.30930E-01 -0.44365E-02 336 0.562E-01 0.496E-01
DAV: 13 -0.383411647478E+03 0.92861E-02 -0.63795E-02 345 0.441E-01 0.732E-01
DAV: 14 -0.383403186651E+03 0.84608E-02 -0.69470E-02 345 0.363E-01 0.599E-01
DAV: 15 -0.383404126800E+03 -0.94015E-03 -0.15899E-02 354 0.361E-01 0.529E-01
DAV: 16 -0.383402562735E+03 0.15641E-02 -0.14931E-02 300 0.269E-01 0.336E-01
DAV: 17 -0.383407861013E+03 -0.52983E-02 -0.12117E-02 318 0.296E-01 0.466E-01
DAV: 18 -0.383412253875E+03 -0.43929E-02 -0.11990E-02 327 0.207E-01 0.142E-01
DAV: 19 -0.383422263697E+03 -0.10010E-01 -0.26343E-03 282 0.143E-01 0.137E-01
DAV: 20 -0.383431634720E+03 -0.93710E-02 -0.12343E-03 318 0.105E-01 0.130E-01
DAV: 21 -0.383439342026E+03 -0.77073E-02 -0.79037E-04 327 0.847E-02 0.671E-02
DAV: 22 -0.383443422633E+03 -0.40806E-02 -0.31740E-04 327 0.475E-02 0.504E-02
DAV: 23 -0.383446285467E+03 -0.28628E-02 -0.12556E-04 318 0.264E-02 0.306E-02
DAV: 24 -0.383448982824E+03 -0.26974E-02 -0.11471E-04 309 0.213E-02 0.116E-02
DAV: 25 -0.383450889023E+03 -0.19062E-02 -0.91375E-05 300 0.180E-02 0.267E-02
DAV: 26 -0.383451876155E+03 -0.98713E-03 -0.42705E-05 291 0.130E-02 0.955E-03
DAV: 27 -0.383452305676E+03 -0.42952E-03 -0.21930E-05 255 0.966E-03 0.942E-03
DAV: 28 -0.383452372394E+03 -0.66718E-04 -0.23993E-06 237 0.465E-03 0.332E-03
DAV: 29 -0.383452509746E+03 -0.13735E-03 -0.37899E-06 201 0.405E-03 0.279E-03
DAV: 30 -0.383452563673E+03 -0.53927E-04 -0.13939E-06 228 0.257E-03 0.232E-03
DAV: 31 -0.383452608449E+03 -0.44776E-04 -0.13360E-06 201 0.263E-03 0.150E-03
DAV: 32 -0.383452624902E+03 -0.16453E-04 -0.70331E-07 228 0.177E-03 0.109E-03
DAV: 33 -0.383452632465E+03 -0.75632E-05 -0.35848E-07 210 0.126E-03
1 F= -.38345263E+03 E0= -.38346915E+03 d E =0.495645E-01