iterations/neb0_image02_iter61_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 0.144728091292E+04 0.14473E+04 -0.44191E+04 330 0.697E+02
DAV: 2 0.223758280522E+03 -0.12235E+04 -0.11464E+04 435 0.163E+02
DAV: 3 -0.363129073846E+03 -0.58689E+03 -0.58378E+03 345 0.114E+02
DAV: 4 -0.433414494180E+03 -0.70285E+02 -0.70039E+02 318 0.508E+01
DAV: 5 -0.434985933914E+03 -0.15714E+01 -0.15690E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389064732436E+03 0.45921E+02 -0.14804E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385593963970E+03 0.34708E+01 -0.13449E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384113542544E+03 0.14804E+01 -0.20343E+00 336 0.383E+00 0.430E+00
DAV: 9 -0.383570685634E+03 0.54286E+00 -0.14379E+00 327 0.236E+00 0.133E+00
DAV: 10 -0.383516655065E+03 0.54031E-01 -0.43696E-01 327 0.114E+00 0.101E+00
DAV: 11 -0.383476699897E+03 0.39955E-01 -0.11904E-01 345 0.644E-01 0.805E-01
DAV: 12 -0.383469322306E+03 0.73776E-02 -0.14648E-01 345 0.723E-01 0.922E-01
DAV: 13 -0.383446863131E+03 0.22459E-01 -0.12317E-01 345 0.530E-01 0.639E-01
DAV: 14 -0.383434937274E+03 0.11926E-01 -0.46436E-02 318 0.374E-01 0.402E-01
DAV: 15 -0.383435058318E+03 -0.12104E-03 -0.64264E-02 336 0.437E-01 0.577E-01
DAV: 16 -0.383433334810E+03 0.17235E-02 -0.26757E-02 345 0.293E-01 0.230E-01
DAV: 17 -0.383438932624E+03 -0.55978E-02 -0.40575E-03 282 0.184E-01 0.199E-01
DAV: 18 -0.383446995663E+03 -0.80630E-02 -0.33519E-03 327 0.210E-01 0.134E-01
DAV: 19 -0.383454873373E+03 -0.78777E-02 -0.34395E-03 318 0.140E-01 0.178E-01
DAV: 20 -0.383455609185E+03 -0.73581E-03 -0.50579E-03 336 0.983E-02 0.111E-01
DAV: 21 -0.383463433878E+03 -0.78247E-02 -0.18142E-03 291 0.974E-02 0.991E-02
DAV: 22 -0.383468902110E+03 -0.54682E-02 -0.59306E-04 327 0.605E-02 0.401E-02
DAV: 23 -0.383475082618E+03 -0.61805E-02 -0.45544E-04 300 0.530E-02 0.332E-02
DAV: 24 -0.383477828036E+03 -0.27454E-02 -0.13668E-04 363 0.275E-02 0.529E-02
DAV: 25 -0.383479428376E+03 -0.16003E-02 -0.81062E-05 300 0.217E-02 0.235E-02
DAV: 26 -0.383481021809E+03 -0.15934E-02 -0.13187E-04 309 0.196E-02 0.127E-02
DAV: 27 -0.383482104147E+03 -0.10823E-02 -0.51541E-05 291 0.140E-02 0.186E-02
DAV: 28 -0.383482587802E+03 -0.48366E-03 -0.19170E-05 273 0.920E-03 0.525E-03
DAV: 29 -0.383482805742E+03 -0.21794E-03 -0.77765E-06 228 0.698E-03 0.557E-03
DAV: 30 -0.383482946640E+03 -0.14090E-03 -0.52868E-06 219 0.474E-03 0.282E-03
DAV: 31 -0.383482994125E+03 -0.47484E-04 -0.18257E-06 228 0.318E-03 0.167E-03
DAV: 32 -0.383483048188E+03 -0.54063E-04 -0.22159E-06 201 0.350E-03 0.228E-03
DAV: 33 -0.383483062699E+03 -0.14511E-04 -0.82062E-07 228 0.189E-03 0.133E-03
DAV: 34 -0.383483071626E+03 -0.89278E-05 -0.53369E-07 210 0.182E-03
1 F= -.38348307E+03 E0= -.38349964E+03 d E =0.497084E-01