iterations/neb0_image06_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 0.144715278501E+04 0.14472E+04 -0.44234E+04 330 0.697E+02
DAV: 2 0.231326889081E+03 -0.12158E+04 -0.11390E+04 417 0.163E+02
DAV: 3 -0.367122441180E+03 -0.59845E+03 -0.59504E+03 363 0.114E+02
DAV: 4 -0.432773043767E+03 -0.65651E+02 -0.65396E+02 309 0.475E+01
DAV: 5 -0.434204151512E+03 -0.14311E+01 -0.14289E+01 345 0.737E+00 0.427E+01
DAV: 6 -0.388263719765E+03 0.45940E+02 -0.15170E+02 309 0.288E+01 0.209E+01
DAV: 7 -0.384821869881E+03 0.34418E+01 -0.12694E+01 345 0.770E+00 0.104E+01
DAV: 8 -0.383358544255E+03 0.14633E+01 -0.21474E+00 327 0.383E+00 0.433E+00
DAV: 9 -0.382806544576E+03 0.55200E+00 -0.11451E+00 336 0.209E+00 0.107E+00
DAV: 10 -0.382739001579E+03 0.67543E-01 -0.15135E-01 336 0.977E-01 0.882E-01
DAV: 11 -0.382714987532E+03 0.24014E-01 -0.10810E-01 363 0.649E-01 0.696E-01
DAV: 12 -0.382690154002E+03 0.24834E-01 -0.63621E-02 327 0.434E-01 0.409E-01
DAV: 13 -0.382678571732E+03 0.11582E-01 -0.15291E-01 318 0.536E-01 0.680E-01
DAV: 14 -0.382671562150E+03 0.70096E-02 -0.51314E-02 327 0.344E-01 0.271E-01
DAV: 15 -0.382677363492E+03 -0.58013E-02 -0.67515E-03 300 0.253E-01 0.213E-01
DAV: 16 -0.382683018365E+03 -0.56549E-02 -0.41240E-03 300 0.186E-01 0.127E-01
DAV: 17 -0.382692956291E+03 -0.99379E-02 -0.40315E-03 336 0.208E-01 0.140E-01
DAV: 18 -0.382700024405E+03 -0.70681E-02 -0.12101E-03 363 0.188E-01 0.935E-02
DAV: 19 -0.382704614165E+03 -0.45898E-02 -0.14388E-03 372 0.111E-01 0.864E-02
DAV: 20 -0.382707314829E+03 -0.27007E-02 -0.57378E-04 309 0.606E-02 0.850E-02
DAV: 21 -0.382713685121E+03 -0.63703E-02 -0.41038E-04 291 0.616E-02 0.552E-02
DAV: 22 -0.382717474790E+03 -0.37897E-02 -0.30887E-04 327 0.387E-02 0.520E-02
DAV: 23 -0.382718454635E+03 -0.97985E-03 -0.11048E-04 336 0.384E-02 0.232E-02
DAV: 24 -0.382721735143E+03 -0.32805E-02 -0.18706E-04 282 0.283E-02 0.183E-02
DAV: 25 -0.382723547618E+03 -0.18125E-02 -0.97983E-05 309 0.211E-02 0.228E-02
DAV: 26 -0.382724500964E+03 -0.95335E-03 -0.43110E-05 291 0.148E-02 0.134E-02
DAV: 27 -0.382724978003E+03 -0.47704E-03 -0.24573E-05 282 0.107E-02 0.703E-03
DAV: 28 -0.382725138516E+03 -0.16051E-03 -0.40535E-06 237 0.519E-03 0.447E-03
DAV: 29 -0.382725414739E+03 -0.27622E-03 -0.87254E-06 210 0.521E-03 0.525E-03
DAV: 30 -0.382725569126E+03 -0.15439E-03 -0.73317E-06 237 0.512E-03 0.368E-03
DAV: 31 -0.382725602834E+03 -0.33708E-04 -0.16764E-06 228 0.359E-03 0.142E-03
DAV: 32 -0.382725634773E+03 -0.31939E-04 -0.17098E-06 210 0.326E-03 0.174E-03
DAV: 33 -0.382725646272E+03 -0.11499E-04 -0.46499E-07 228 0.197E-03 0.871E-04
DAV: 34 -0.382725663745E+03 -0.17473E-04 -0.74752E-07 210 0.184E-03 0.922E-04
DAV: 35 -0.382725671350E+03 -0.76050E-05 -0.31387E-07 210 0.138E-03
1 F= -.38272567E+03 E0= -.38274262E+03 d E =0.508355E-01