iterations/neb0_image06_iter54_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 0.144819114054E+04 0.14482E+04 -0.44237E+04 330 0.697E+02
DAV: 2 0.230684584576E+03 -0.12175E+04 -0.11408E+04 417 0.163E+02
DAV: 3 -0.367805577112E+03 -0.59849E+03 -0.59522E+03 363 0.114E+02
DAV: 4 -0.433102887895E+03 -0.65297E+02 -0.65053E+02 309 0.473E+01
DAV: 5 -0.434534399481E+03 -0.14315E+01 -0.14292E+01 345 0.734E+00 0.427E+01
DAV: 6 -0.388573847381E+03 0.45961E+02 -0.15134E+02 309 0.288E+01 0.209E+01
DAV: 7 -0.385133337277E+03 0.34405E+01 -0.13119E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.383661763108E+03 0.14716E+01 -0.22526E+00 327 0.386E+00 0.434E+00
DAV: 9 -0.383098178384E+03 0.56358E+00 -0.11276E+00 327 0.225E+00 0.112E+00
DAV: 10 -0.383042948870E+03 0.55230E-01 -0.25807E-01 336 0.103E+00 0.974E-01
DAV: 11 -0.383017575494E+03 0.25373E-01 -0.18653E-01 354 0.568E-01 0.930E-01
DAV: 12 -0.382990017867E+03 0.27558E-01 -0.14019E-01 363 0.658E-01 0.819E-01
DAV: 13 -0.382978452652E+03 0.11565E-01 -0.66813E-02 354 0.469E-01 0.635E-01
DAV: 14 -0.382966982770E+03 0.11470E-01 -0.18722E-02 318 0.380E-01 0.427E-01
DAV: 15 -0.382965572751E+03 0.14100E-02 -0.16867E-02 300 0.366E-01 0.181E-01
DAV: 16 -0.382972058447E+03 -0.64857E-02 -0.49663E-03 318 0.223E-01 0.165E-01
DAV: 17 -0.382980190666E+03 -0.81322E-02 -0.22037E-03 291 0.149E-01 0.907E-02
DAV: 18 -0.382990591574E+03 -0.10401E-01 -0.17559E-03 318 0.122E-01 0.627E-02
DAV: 19 -0.382999256555E+03 -0.86650E-02 -0.11871E-03 336 0.116E-01 0.502E-02
DAV: 20 -0.383006031802E+03 -0.67752E-02 -0.66433E-04 318 0.739E-02 0.391E-02
DAV: 21 -0.383009465812E+03 -0.34340E-02 -0.15189E-04 336 0.334E-02 0.268E-02
DAV: 22 -0.383014692217E+03 -0.52264E-02 -0.37288E-04 291 0.420E-02 0.200E-02
DAV: 23 -0.383016577167E+03 -0.18850E-02 -0.76823E-05 318 0.186E-02 0.164E-02
DAV: 24 -0.383017522454E+03 -0.94529E-03 -0.62901E-05 300 0.213E-02 0.788E-03
DAV: 25 -0.383018053205E+03 -0.53075E-03 -0.11808E-05 228 0.105E-02 0.541E-03
DAV: 26 -0.383018677668E+03 -0.62446E-03 -0.34953E-05 273 0.958E-03 0.466E-03
DAV: 27 -0.383018793768E+03 -0.11610E-03 -0.24429E-06 237 0.497E-03 0.228E-03
DAV: 28 -0.383018952739E+03 -0.15897E-03 -0.67198E-06 192 0.615E-03 0.353E-03
DAV: 29 -0.383018994086E+03 -0.41347E-04 -0.14370E-06 228 0.353E-03 0.242E-03
DAV: 30 -0.383019037305E+03 -0.43218E-04 -0.27750E-06 192 0.460E-03 0.117E-03
DAV: 31 -0.383019053796E+03 -0.16491E-04 -0.86775E-07 219 0.226E-03 0.128E-03
DAV: 32 -0.383019064754E+03 -0.10958E-04 -0.43136E-07 210 0.131E-03 0.138E-03
DAV: 33 -0.383019076281E+03 -0.11527E-04 -0.45395E-07 219 0.205E-03 0.342E-04
DAV: 34 -0.383019080712E+03 -0.44310E-05 -0.30372E-07 210 0.122E-03
1 F= -.38301908E+03 E0= -.38303590E+03 d E =0.504671E-01