iterations/neb0_image07_iter64_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 0.144964691312E+04 0.14496E+04 -0.44237E+04 330 0.697E+02
DAV: 2 0.231137791944E+03 -0.12185E+04 -0.11424E+04 417 0.163E+02
DAV: 3 -0.363273014963E+03 -0.59441E+03 -0.59100E+03 363 0.115E+02
DAV: 4 -0.431957229887E+03 -0.68684E+02 -0.68412E+02 309 0.492E+01
DAV: 5 -0.433474464686E+03 -0.15172E+01 -0.15147E+01 327 0.757E+00 0.427E+01
DAV: 6 -0.387358364878E+03 0.46116E+02 -0.15028E+02 309 0.288E+01 0.209E+01
DAV: 7 -0.383928883091E+03 0.34295E+01 -0.12908E+01 336 0.778E+00 0.104E+01
DAV: 8 -0.382495718003E+03 0.14332E+01 -0.23058E+00 327 0.396E+00 0.435E+00
DAV: 9 -0.381921236740E+03 0.57448E+00 -0.67626E-01 327 0.204E+00 0.931E-01
DAV: 10 -0.381860623110E+03 0.60614E-01 -0.10345E-01 345 0.847E-01 0.675E-01
DAV: 11 -0.381826351688E+03 0.34271E-01 -0.17628E-02 345 0.430E-01 0.350E-01
DAV: 12 -0.381803850441E+03 0.22501E-01 -0.16966E-02 327 0.446E-01 0.198E-01
DAV: 13 -0.381804295606E+03 -0.44517E-03 -0.17096E-02 318 0.447E-01 0.142E-01
DAV: 14 -0.381816200758E+03 -0.11905E-01 -0.63456E-03 300 0.258E-01 0.106E-01
DAV: 15 -0.381826967146E+03 -0.10766E-01 -0.31305E-03 318 0.168E-01 0.523E-02
DAV: 16 -0.381835109880E+03 -0.81427E-02 -0.13314E-03 327 0.115E-01 0.488E-02
DAV: 17 -0.381842640859E+03 -0.75310E-02 -0.84585E-04 318 0.790E-02 0.420E-02
DAV: 18 -0.381849036673E+03 -0.63958E-02 -0.32806E-04 336 0.424E-02 0.197E-02
DAV: 19 -0.381853952342E+03 -0.49157E-02 -0.29245E-04 318 0.321E-02 0.127E-02
DAV: 20 -0.381855834288E+03 -0.18819E-02 -0.84978E-05 318 0.183E-02 0.841E-03
DAV: 21 -0.381857227935E+03 -0.13936E-02 -0.54202E-05 273 0.131E-02 0.586E-03
DAV: 22 -0.381857859652E+03 -0.63172E-03 -0.24829E-05 255 0.939E-03 0.337E-03
DAV: 23 -0.381858074709E+03 -0.21506E-03 -0.72839E-06 219 0.705E-03 0.242E-03
DAV: 24 -0.381858238809E+03 -0.16410E-03 -0.57780E-06 201 0.624E-03 0.266E-03
DAV: 25 -0.381858282200E+03 -0.43391E-04 -0.21038E-06 228 0.339E-03 0.225E-03
DAV: 26 -0.381858302435E+03 -0.20235E-04 -0.16074E-06 201 0.369E-03 0.867E-04
DAV: 27 -0.381858327414E+03 -0.24979E-04 -0.96426E-07 210 0.217E-03 0.903E-04
DAV: 28 -0.381858340622E+03 -0.13208E-04 -0.51259E-07 219 0.151E-03 0.613E-04
DAV: 29 -0.381858348386E+03 -0.77639E-05 -0.34099E-07 219 0.135E-03
1 F= -.38185835E+03 E0= -.38186235E+03 d E =0.120069E-01