iterations/neb0_image05_iter25_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161936203614E+04 0.16194E+04 -0.42283E+04 306 0.697E+02
DAV: 2 0.299878555036E+03 -0.13195E+04 -0.12414E+04 420 0.168E+02
DAV: 3 -0.358450653530E+03 -0.65833E+03 -0.65484E+03 364 0.123E+02
DAV: 4 -0.433346041351E+03 -0.74895E+02 -0.74618E+02 308 0.527E+01
DAV: 5 -0.435007946084E+03 -0.16619E+01 -0.16592E+01 332 0.806E+00 0.426E+01
DAV: 6 -0.389011408165E+03 0.45997E+02 -0.14964E+02 324 0.286E+01 0.208E+01
DAV: 7 -0.385523081230E+03 0.34883E+01 -0.12776E+01 340 0.773E+00 0.104E+01
DAV: 8 -0.384102598204E+03 0.14205E+01 -0.27778E+00 332 0.391E+00 0.433E+00
DAV: 9 -0.383523921487E+03 0.57868E+00 -0.62866E-01 332 0.198E+00 0.991E-01
DAV: 10 -0.383465332197E+03 0.58589E-01 -0.19107E-01 332 0.102E+00 0.856E-01
DAV: 11 -0.383457216587E+03 0.81156E-02 -0.87821E-02 332 0.505E-01 0.708E-01
DAV: 12 -0.383436451737E+03 0.20765E-01 -0.23251E-02 308 0.346E-01 0.408E-01
DAV: 13 -0.383428527055E+03 0.79247E-02 -0.39925E-02 316 0.450E-01 0.470E-01
DAV: 14 -0.383423536084E+03 0.49910E-02 -0.27807E-02 332 0.340E-01 0.231E-01
DAV: 15 -0.383431637515E+03 -0.81014E-02 -0.12606E-02 316 0.280E-01 0.225E-01
DAV: 16 -0.383437365895E+03 -0.57284E-02 -0.36189E-03 332 0.187E-01 0.113E-01
DAV: 17 -0.383447499861E+03 -0.10134E-01 -0.25061E-03 276 0.116E-01 0.839E-02
DAV: 18 -0.383458543884E+03 -0.11044E-01 -0.21629E-03 308 0.111E-01 0.787E-02
DAV: 19 -0.383466524008E+03 -0.79801E-02 -0.89730E-04 324 0.841E-02 0.695E-02
DAV: 20 -0.383473463732E+03 -0.69397E-02 -0.50595E-04 308 0.578E-02 0.243E-02
DAV: 21 -0.383477772335E+03 -0.43086E-02 -0.26245E-04 324 0.357E-02 0.324E-02
DAV: 22 -0.383479557124E+03 -0.17848E-02 -0.83888E-05 324 0.218E-02 0.154E-02
DAV: 23 -0.383481814462E+03 -0.22573E-02 -0.12302E-04 284 0.202E-02 0.868E-03
DAV: 24 -0.383482625929E+03 -0.81147E-03 -0.42186E-05 276 0.121E-02 0.834E-03
DAV: 25 -0.383482989344E+03 -0.36342E-03 -0.13104E-05 220 0.849E-03 0.515E-03
DAV: 26 -0.383483174723E+03 -0.18538E-03 -0.10729E-05 228 0.632E-03 0.305E-03
DAV: 27 -0.383483231434E+03 -0.56711E-04 -0.23446E-06 236 0.392E-03 0.232E-03
DAV: 28 -0.383483283068E+03 -0.51635E-04 -0.24651E-06 204 0.366E-03 0.176E-03
DAV: 29 -0.383483304112E+03 -0.21044E-04 -0.88224E-07 228 0.214E-03 0.911E-04
DAV: 30 -0.383483318860E+03 -0.14748E-04 -0.62580E-07 212 0.168E-03 0.603E-04
DAV: 31 -0.383483326059E+03 -0.71986E-05 -0.30101E-07 228 0.113E-03
1 F= -.38348333E+03 E0= -.38349671E+03 d E =0.401497E-01