iterations/neb0_image04_iter42_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 0.144222546843E+04 0.14422E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.235079324278E+03 -0.12071E+04 -0.11302E+04 408 0.162E+02
DAV: 3 -0.366703139518E+03 -0.60178E+03 -0.59835E+03 372 0.116E+02
DAV: 4 -0.431836912628E+03 -0.65134E+02 -0.64890E+02 309 0.470E+01
DAV: 5 -0.433258415367E+03 -0.14215E+01 -0.14194E+01 336 0.723E+00 0.425E+01
DAV: 6 -0.387782020368E+03 0.45476E+02 -0.14979E+02 309 0.285E+01 0.207E+01
DAV: 7 -0.384386644463E+03 0.33954E+01 -0.12946E+01 336 0.779E+00 0.104E+01
DAV: 8 -0.382906950243E+03 0.14797E+01 -0.22413E+00 327 0.387E+00 0.427E+00
DAV: 9 -0.382352840961E+03 0.55411E+00 -0.10386E+00 318 0.219E+00 0.111E+00
DAV: 10 -0.382296603428E+03 0.56238E-01 -0.23776E-01 336 0.101E+00 0.108E+00
DAV: 11 -0.382271380926E+03 0.25223E-01 -0.26419E-01 345 0.584E-01 0.105E+00
DAV: 12 -0.382255726408E+03 0.15655E-01 -0.17209E-01 354 0.696E-01 0.112E+00
DAV: 13 -0.382232985832E+03 0.22741E-01 -0.58771E-02 372 0.460E-01 0.641E-01
DAV: 14 -0.382229396726E+03 0.35891E-02 -0.13102E-02 318 0.332E-01 0.876E-01
DAV: 15 -0.382219416366E+03 0.99804E-02 -0.79707E-02 318 0.352E-01 0.401E-01
DAV: 16 -0.382220353555E+03 -0.93719E-03 -0.10984E-02 309 0.298E-01 0.207E-01
DAV: 17 -0.382226582645E+03 -0.62291E-02 -0.44876E-03 336 0.221E-01 0.197E-01
DAV: 18 -0.382236098866E+03 -0.95162E-02 -0.22122E-03 300 0.161E-01 0.830E-02
DAV: 19 -0.382247895961E+03 -0.11797E-01 -0.28405E-03 318 0.154E-01 0.741E-02
DAV: 20 -0.382256363378E+03 -0.84674E-02 -0.13064E-03 336 0.948E-02 0.392E-02
DAV: 21 -0.382261354720E+03 -0.49913E-02 -0.20280E-04 318 0.364E-02 0.336E-02
DAV: 22 -0.382267527433E+03 -0.61727E-02 -0.36867E-04 291 0.406E-02 0.215E-02
DAV: 23 -0.382269804289E+03 -0.22769E-02 -0.94942E-05 336 0.191E-02 0.153E-02
DAV: 24 -0.382271441274E+03 -0.16370E-02 -0.77549E-05 291 0.209E-02 0.920E-03
DAV: 25 -0.382272454908E+03 -0.10136E-02 -0.43341E-05 291 0.131E-02 0.728E-03
DAV: 26 -0.382272814577E+03 -0.35967E-03 -0.85721E-06 237 0.772E-03 0.627E-03
DAV: 27 -0.382273195740E+03 -0.38116E-03 -0.23621E-05 255 0.109E-02 0.443E-03
DAV: 28 -0.382273250625E+03 -0.54885E-04 -0.18569E-06 237 0.471E-03 0.301E-03
DAV: 29 -0.382273322634E+03 -0.72009E-04 -0.41427E-06 201 0.571E-03 0.211E-03
DAV: 30 -0.382273371849E+03 -0.49214E-04 -0.10654E-06 219 0.340E-03 0.128E-03
DAV: 31 -0.382273421015E+03 -0.49167E-04 -0.17435E-06 210 0.287E-03 0.937E-04
DAV: 32 -0.382273435520E+03 -0.14505E-04 -0.60602E-07 219 0.167E-03 0.997E-04
DAV: 33 -0.382273440861E+03 -0.53407E-05 -0.37932E-07 228 0.158E-03
1 F= -.38227344E+03 E0= -.38229034E+03 d E =0.506859E-01