iterations/neb0_image04_iter1_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 0.144946094342E+04 0.14495E+04 -0.44199E+04 330 0.697E+02
DAV: 2 0.225396392882E+03 -0.12241E+04 -0.11496E+04 435 0.163E+02
DAV: 3 -0.362268440157E+03 -0.58766E+03 -0.58432E+03 345 0.114E+02
DAV: 4 -0.433257270325E+03 -0.70989E+02 -0.70736E+02 309 0.509E+01
DAV: 5 -0.434854405236E+03 -0.15971E+01 -0.15945E+01 318 0.785E+00 0.426E+01
DAV: 6 -0.389007436922E+03 0.45847E+02 -0.14756E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385563412403E+03 0.34440E+01 -0.13541E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384103389654E+03 0.14600E+01 -0.22481E+00 327 0.386E+00 0.435E+00
DAV: 9 -0.383562244548E+03 0.54115E+00 -0.16529E+00 327 0.244E+00 0.131E+00
DAV: 10 -0.383482683712E+03 0.79561E-01 -0.17116E-01 336 0.114E+00 0.918E-01
DAV: 11 -0.383449301095E+03 0.33383E-01 -0.89547E-02 345 0.752E-01 0.671E-01
DAV: 12 -0.383431838184E+03 0.17463E-01 -0.19793E-02 345 0.524E-01 0.676E-01
DAV: 13 -0.383424903478E+03 0.69347E-02 -0.10107E-01 336 0.366E-01 0.684E-01
DAV: 14 -0.383417000412E+03 0.79031E-02 -0.91578E-02 318 0.474E-01 0.667E-01
DAV: 15 -0.383411161652E+03 0.58388E-02 -0.25373E-02 345 0.381E-01 0.269E-01
DAV: 16 -0.383416101291E+03 -0.49396E-02 -0.68731E-03 309 0.238E-01 0.147E-01
DAV: 17 -0.383427638679E+03 -0.11537E-01 -0.85248E-03 318 0.212E-01 0.272E-01
DAV: 18 -0.383432362281E+03 -0.47236E-02 -0.46070E-03 363 0.162E-01 0.114E-01
DAV: 19 -0.383439782162E+03 -0.74199E-02 -0.36760E-03 318 0.127E-01 0.167E-01
DAV: 20 -0.383441623300E+03 -0.18411E-02 -0.85254E-04 318 0.710E-02 0.878E-02
DAV: 21 -0.383446658353E+03 -0.50351E-02 -0.75162E-04 309 0.669E-02 0.361E-02
DAV: 22 -0.383451746587E+03 -0.50882E-02 -0.29360E-04 309 0.432E-02 0.390E-02
DAV: 23 -0.383457404258E+03 -0.56577E-02 -0.38606E-04 309 0.387E-02 0.315E-02
DAV: 24 -0.383459858229E+03 -0.24540E-02 -0.13257E-04 309 0.259E-02 0.177E-02
DAV: 25 -0.383461461396E+03 -0.16032E-02 -0.99847E-05 300 0.190E-02 0.152E-02
DAV: 26 -0.383462111738E+03 -0.65034E-03 -0.24700E-05 291 0.119E-02 0.119E-02
DAV: 27 -0.383462797376E+03 -0.68564E-03 -0.41285E-05 282 0.123E-02 0.103E-02
DAV: 28 -0.383462904191E+03 -0.10681E-03 -0.44153E-06 237 0.604E-03 0.432E-03
DAV: 29 -0.383463019097E+03 -0.11491E-03 -0.37334E-06 201 0.429E-03 0.557E-03
DAV: 30 -0.383463146143E+03 -0.12705E-03 -0.77372E-06 228 0.504E-03 0.288E-03
DAV: 31 -0.383463183581E+03 -0.37438E-04 -0.18027E-06 228 0.294E-03 0.223E-03
DAV: 32 -0.383463206058E+03 -0.22477E-04 -0.78285E-07 219 0.237E-03 0.929E-04
DAV: 33 -0.383463225246E+03 -0.19188E-04 -0.64949E-07 210 0.152E-03 0.657E-04
DAV: 34 -0.383463231811E+03 -0.65649E-05 -0.27654E-07 228 0.972E-04
1 F= -.38346323E+03 E0= -.38348001E+03 d E =0.503399E-01