iterations/neb0_image04_iter9_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 0.161902909737E+04 0.16190E+04 -0.42281E+04 306 0.697E+02
DAV: 2 0.298060305877E+03 -0.13210E+04 -0.12420E+04 420 0.168E+02
DAV: 3 -0.354120802122E+03 -0.65218E+03 -0.64862E+03 356 0.123E+02
DAV: 4 -0.433261711364E+03 -0.79141E+02 -0.78801E+02 316 0.540E+01
DAV: 5 -0.435107016177E+03 -0.18453E+01 -0.18430E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389068719774E+03 0.46038E+02 -0.15049E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385566270282E+03 0.35024E+01 -0.12379E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384133069749E+03 0.14332E+01 -0.25447E+00 332 0.386E+00 0.430E+00
DAV: 9 -0.383570580721E+03 0.56249E+00 -0.76323E-01 324 0.200E+00 0.121E+00
DAV: 10 -0.383520964356E+03 0.49616E-01 -0.52192E-01 340 0.104E+00 0.779E-01
DAV: 11 -0.383495021206E+03 0.25943E-01 -0.31604E-02 324 0.479E-01 0.615E-01
DAV: 12 -0.383472377176E+03 0.22644E-01 -0.13069E-01 372 0.690E-01 0.837E-01
DAV: 13 -0.383462523451E+03 0.98537E-02 -0.66234E-02 332 0.393E-01 0.485E-01
DAV: 14 -0.383460649640E+03 0.18738E-02 -0.18680E-02 308 0.264E-01 0.342E-01
DAV: 15 -0.383464342228E+03 -0.36926E-02 -0.65681E-03 324 0.200E-01 0.276E-01
DAV: 16 -0.383475949824E+03 -0.11608E-01 -0.20432E-02 308 0.276E-01 0.227E-01
DAV: 17 -0.383485323980E+03 -0.93742E-02 -0.44084E-03 316 0.193E-01 0.189E-01
DAV: 18 -0.383492879030E+03 -0.75551E-02 -0.14307E-03 284 0.101E-01 0.835E-02
DAV: 19 -0.383502111667E+03 -0.92326E-02 -0.13532E-03 300 0.789E-02 0.795E-02
DAV: 20 -0.383507176550E+03 -0.50649E-02 -0.41141E-04 316 0.538E-02 0.616E-02
DAV: 21 -0.383511189008E+03 -0.40125E-02 -0.27049E-04 332 0.477E-02 0.398E-02
DAV: 22 -0.383516161165E+03 -0.49722E-02 -0.32639E-04 316 0.347E-02 0.256E-02
DAV: 23 -0.383517708698E+03 -0.15475E-02 -0.71829E-05 308 0.188E-02 0.105E-02
DAV: 24 -0.383519248502E+03 -0.15398E-02 -0.79856E-05 300 0.180E-02 0.804E-03
DAV: 25 -0.383519687139E+03 -0.43864E-03 -0.11415E-05 236 0.776E-03 0.686E-03
DAV: 26 -0.383520080279E+03 -0.39314E-03 -0.22526E-05 236 0.838E-03 0.475E-03
DAV: 27 -0.383520206248E+03 -0.12597E-03 -0.39030E-06 228 0.520E-03 0.328E-03
DAV: 28 -0.383520274131E+03 -0.67884E-04 -0.29604E-06 212 0.368E-03 0.268E-03
DAV: 29 -0.383520324138E+03 -0.50006E-04 -0.18521E-06 212 0.386E-03 0.116E-03
DAV: 30 -0.383520357370E+03 -0.33232E-04 -0.19960E-06 212 0.314E-03 0.243E-03
DAV: 31 -0.383520368741E+03 -0.11371E-04 -0.55209E-07 228 0.174E-03 0.178E-03
DAV: 32 -0.383520373725E+03 -0.49844E-05 -0.76051E-07 228 0.251E-03
1 F= -.38352037E+03 E0= -.38353348E+03 d E =0.393084E-01