iterations/neb0_image07_iter30_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 0.144963869607E+04 0.14496E+04 -0.44228E+04 330 0.697E+02
DAV: 2 0.226946654834E+03 -0.12227E+04 -0.11463E+04 426 0.163E+02
DAV: 3 -0.361569697161E+03 -0.58852E+03 -0.58499E+03 345 0.114E+02
DAV: 4 -0.432876786925E+03 -0.71307E+02 -0.71051E+02 309 0.510E+01
DAV: 5 -0.434507056166E+03 -0.16303E+01 -0.16274E+01 327 0.791E+00 0.426E+01
DAV: 6 -0.388809637546E+03 0.45697E+02 -0.14751E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385381463208E+03 0.34282E+01 -0.13102E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.383913801464E+03 0.14677E+01 -0.18253E+00 327 0.379E+00 0.430E+00
DAV: 9 -0.383392802215E+03 0.52100E+00 -0.15395E+00 336 0.223E+00 0.113E+00
DAV: 10 -0.383320746062E+03 0.72056E-01 -0.17561E-01 336 0.100E+00 0.958E-01
DAV: 11 -0.383292965059E+03 0.27781E-01 -0.10991E-01 336 0.600E-01 0.877E-01
DAV: 12 -0.383282349518E+03 0.10616E-01 -0.19233E-01 381 0.660E-01 0.111E+00
DAV: 13 -0.383251326438E+03 0.31023E-01 -0.99311E-02 363 0.562E-01 0.397E-01
DAV: 14 -0.383243392673E+03 0.79338E-02 -0.53925E-02 309 0.433E-01 0.539E-01
DAV: 15 -0.383241599733E+03 0.17929E-02 -0.13054E-02 318 0.342E-01 0.525E-01
DAV: 16 -0.383242037951E+03 -0.43822E-03 -0.27281E-02 372 0.240E-01 0.188E-01
DAV: 17 -0.383249950371E+03 -0.79124E-02 -0.62029E-03 300 0.176E-01 0.196E-01
DAV: 18 -0.383262202714E+03 -0.12252E-01 -0.64315E-03 282 0.222E-01 0.100E-01
DAV: 19 -0.383267180315E+03 -0.49776E-02 -0.17536E-03 336 0.119E-01 0.993E-02
DAV: 20 -0.383273311493E+03 -0.61312E-02 -0.99873E-04 327 0.835E-02 0.140E-01
DAV: 21 -0.383282420938E+03 -0.91094E-02 -0.12237E-03 300 0.777E-02 0.436E-02
DAV: 22 -0.383285564354E+03 -0.31434E-02 -0.36081E-04 336 0.455E-02 0.399E-02
DAV: 23 -0.383287271668E+03 -0.17073E-02 -0.15821E-04 318 0.256E-02 0.262E-02
DAV: 24 -0.383289716781E+03 -0.24451E-02 -0.13729E-04 300 0.225E-02 0.161E-02
DAV: 25 -0.383291866069E+03 -0.21493E-02 -0.12711E-04 291 0.200E-02 0.145E-02
DAV: 26 -0.383292453551E+03 -0.58748E-03 -0.23658E-05 264 0.100E-02 0.896E-03
DAV: 27 -0.383292876121E+03 -0.42257E-03 -0.16937E-05 219 0.944E-03 0.508E-03
DAV: 28 -0.383293100318E+03 -0.22420E-03 -0.77097E-06 219 0.551E-03 0.552E-03
DAV: 29 -0.383293221123E+03 -0.12081E-03 -0.54707E-06 219 0.523E-03 0.260E-03
DAV: 30 -0.383293301715E+03 -0.80592E-04 -0.30197E-06 201 0.359E-03 0.211E-03
DAV: 31 -0.383293330783E+03 -0.29068E-04 -0.13277E-06 219 0.283E-03 0.159E-03
DAV: 32 -0.383293358745E+03 -0.27961E-04 -0.13650E-06 201 0.244E-03 0.150E-03
DAV: 33 -0.383293363541E+03 -0.47961E-05 -0.47836E-07 228 0.195E-03
1 F= -.38329336E+03 E0= -.38331047E+03 d E =0.513084E-01