iterations/neb0_image05_iter52_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 0.144942398870E+04 0.14494E+04 -0.44222E+04 330 0.697E+02
DAV: 2 0.231113727600E+03 -0.12183E+04 -0.11414E+04 417 0.163E+02
DAV: 3 -0.361787194954E+03 -0.59290E+03 -0.58969E+03 345 0.115E+02
DAV: 4 -0.433224480185E+03 -0.71437E+02 -0.71188E+02 309 0.514E+01
DAV: 5 -0.434877060111E+03 -0.16526E+01 -0.16496E+01 336 0.797E+00 0.427E+01
DAV: 6 -0.388894551069E+03 0.45983E+02 -0.14788E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385430608658E+03 0.34639E+01 -0.13381E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.383962934090E+03 0.14677E+01 -0.18687E+00 327 0.380E+00 0.434E+00
DAV: 9 -0.383438429236E+03 0.52450E+00 -0.16847E+00 336 0.220E+00 0.112E+00
DAV: 10 -0.383363355220E+03 0.75074E-01 -0.11978E-01 327 0.961E-01 0.921E-01
DAV: 11 -0.383318162253E+03 0.45193E-01 -0.12868E-01 318 0.797E-01 0.707E-01
DAV: 12 -0.383296314953E+03 0.21847E-01 -0.22831E-02 336 0.480E-01 0.398E-01
DAV: 13 -0.383283317864E+03 0.12997E-01 -0.18283E-02 318 0.386E-01 0.413E-01
DAV: 14 -0.383280662685E+03 0.26552E-02 -0.30057E-02 309 0.389E-01 0.344E-01
DAV: 15 -0.383281639281E+03 -0.97660E-03 -0.21364E-02 336 0.259E-01 0.311E-01
DAV: 16 -0.383289075633E+03 -0.74364E-02 -0.75644E-03 282 0.181E-01 0.115E-01
DAV: 17 -0.383301502406E+03 -0.12427E-01 -0.50977E-03 318 0.191E-01 0.152E-01
DAV: 18 -0.383306329346E+03 -0.48269E-02 -0.19551E-03 336 0.106E-01 0.665E-02
DAV: 19 -0.383313710895E+03 -0.73815E-02 -0.60521E-04 291 0.662E-02 0.435E-02
DAV: 20 -0.383323754408E+03 -0.10044E-01 -0.80847E-04 309 0.686E-02 0.323E-02
DAV: 21 -0.383327567181E+03 -0.38128E-02 -0.21472E-04 318 0.362E-02 0.231E-02
DAV: 22 -0.383330268052E+03 -0.27009E-02 -0.12787E-04 318 0.236E-02 0.125E-02
DAV: 23 -0.383331876399E+03 -0.16083E-02 -0.75648E-05 291 0.162E-02 0.165E-02
DAV: 24 -0.383332884413E+03 -0.10080E-02 -0.48350E-05 291 0.137E-02 0.678E-03
DAV: 25 -0.383333406219E+03 -0.52181E-03 -0.21857E-05 246 0.971E-03 0.695E-03
DAV: 26 -0.383333582227E+03 -0.17601E-03 -0.83254E-06 228 0.590E-03 0.432E-03
DAV: 27 -0.383333733055E+03 -0.15083E-03 -0.44895E-06 192 0.418E-03 0.244E-03
DAV: 28 -0.383333807713E+03 -0.74659E-04 -0.27842E-06 219 0.290E-03 0.169E-03
DAV: 29 -0.383333837524E+03 -0.29811E-04 -0.10340E-06 228 0.237E-03 0.824E-04
DAV: 30 -0.383333864701E+03 -0.27177E-04 -0.12204E-06 201 0.204E-03 0.772E-04
DAV: 31 -0.383333868651E+03 -0.39495E-05 -0.29741E-07 237 0.132E-03
1 F= -.38333387E+03 E0= -.38335071E+03 d E =0.505361E-01