iterations/neb0_image06_iter33_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 0.144992682267E+04 0.14499E+04 -0.44224E+04 330 0.697E+02
DAV: 2 0.231186021352E+03 -0.12187E+04 -0.11425E+04 417 0.163E+02
DAV: 3 -0.365249746746E+03 -0.59644E+03 -0.59315E+03 354 0.114E+02
DAV: 4 -0.433226432462E+03 -0.67977E+02 -0.67738E+02 309 0.492E+01
DAV: 5 -0.434736909479E+03 -0.15105E+01 -0.15076E+01 327 0.761E+00 0.426E+01
DAV: 6 -0.388906348920E+03 0.45831E+02 -0.14846E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385468333022E+03 0.34380E+01 -0.13145E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.383992092074E+03 0.14762E+01 -0.18013E+00 327 0.377E+00 0.429E+00
DAV: 9 -0.383458447555E+03 0.53364E+00 -0.12810E+00 336 0.214E+00 0.106E+00
DAV: 10 -0.383393201289E+03 0.65246E-01 -0.14015E-01 336 0.939E-01 0.927E-01
DAV: 11 -0.383366877453E+03 0.26324E-01 -0.12672E-01 327 0.604E-01 0.801E-01
DAV: 12 -0.383360728105E+03 0.61493E-02 -0.34301E-01 372 0.646E-01 0.974E-01
DAV: 13 -0.383327434865E+03 0.33293E-01 -0.80528E-02 354 0.504E-01 0.356E-01
DAV: 14 -0.383318925464E+03 0.85094E-02 -0.18557E-02 309 0.390E-01 0.237E-01
DAV: 15 -0.383319187120E+03 -0.26166E-03 -0.10439E-02 354 0.334E-01 0.184E-01
DAV: 16 -0.383323506206E+03 -0.43191E-02 -0.63065E-03 309 0.199E-01 0.254E-01
DAV: 17 -0.383331721205E+03 -0.82150E-02 -0.18635E-02 309 0.204E-01 0.284E-01
DAV: 18 -0.383336591304E+03 -0.48701E-02 -0.31847E-03 300 0.152E-01 0.117E-01
DAV: 19 -0.383345469872E+03 -0.88786E-02 -0.28774E-03 300 0.124E-01 0.893E-02
DAV: 20 -0.383352771968E+03 -0.73021E-02 -0.13737E-03 327 0.988E-02 0.602E-02
DAV: 21 -0.383359629112E+03 -0.68571E-02 -0.72615E-04 309 0.715E-02 0.573E-02
DAV: 22 -0.383361438184E+03 -0.18091E-02 -0.12407E-04 327 0.327E-02 0.425E-02
DAV: 23 -0.383365917681E+03 -0.44795E-02 -0.33934E-04 309 0.358E-02 0.132E-02
DAV: 24 -0.383367693052E+03 -0.17754E-02 -0.62865E-05 300 0.159E-02 0.150E-02
DAV: 25 -0.383369415597E+03 -0.17225E-02 -0.91520E-05 282 0.198E-02 0.138E-02
DAV: 26 -0.383369885835E+03 -0.47024E-03 -0.18538E-05 237 0.941E-03 0.563E-03
DAV: 27 -0.383370204973E+03 -0.31914E-03 -0.20160E-05 255 0.116E-02 0.768E-03
DAV: 28 -0.383370425420E+03 -0.22045E-03 -0.72349E-06 219 0.599E-03 0.418E-03
DAV: 29 -0.383370547727E+03 -0.12231E-03 -0.50111E-06 219 0.498E-03 0.246E-03
DAV: 30 -0.383370637478E+03 -0.89751E-04 -0.34506E-06 201 0.402E-03 0.246E-03
DAV: 31 -0.383370663126E+03 -0.25648E-04 -0.12005E-06 228 0.242E-03 0.171E-03
DAV: 32 -0.383370691739E+03 -0.28613E-04 -0.14732E-06 201 0.318E-03 0.140E-03
DAV: 33 -0.383370701275E+03 -0.95357E-05 -0.84310E-07 228 0.233E-03
1 F= -.38337070E+03 E0= -.38338769E+03 d E =0.509612E-01