iterations/neb0_image01_iter5_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 0.161669867845E+04 0.16167E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296169153277E+03 -0.13205E+04 -0.12434E+04 420 0.168E+02
DAV: 3 -0.358048581191E+03 -0.65422E+03 -0.65066E+03 364 0.123E+02
DAV: 4 -0.433513948122E+03 -0.75465E+02 -0.75162E+02 308 0.519E+01
DAV: 5 -0.435225411025E+03 -0.17115E+01 -0.17086E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389144889793E+03 0.46081E+02 -0.15046E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385618092808E+03 0.35268E+01 -0.12410E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384168933063E+03 0.14492E+01 -0.25661E+00 332 0.383E+00 0.431E+00
DAV: 9 -0.383608486982E+03 0.56045E+00 -0.92930E-01 324 0.205E+00 0.113E+00
DAV: 10 -0.383538129059E+03 0.70358E-01 -0.22331E-01 340 0.983E-01 0.879E-01
DAV: 11 -0.383513278368E+03 0.24851E-01 -0.69527E-02 308 0.518E-01 0.665E-01
DAV: 12 -0.383499352127E+03 0.13926E-01 -0.19552E-01 316 0.521E-01 0.502E-01
DAV: 13 -0.383490816388E+03 0.85357E-02 -0.20005E-02 308 0.339E-01 0.521E-01
DAV: 14 -0.383488911087E+03 0.19053E-02 -0.73295E-02 316 0.386E-01 0.591E-01
DAV: 15 -0.383488958580E+03 -0.47493E-04 -0.39199E-02 372 0.325E-01 0.258E-01
DAV: 16 -0.383496960351E+03 -0.80018E-02 -0.45174E-03 292 0.163E-01 0.137E-01
DAV: 17 -0.383504652710E+03 -0.76924E-02 -0.14870E-03 316 0.936E-02 0.863E-02
DAV: 18 -0.383518984033E+03 -0.14331E-01 -0.31896E-03 276 0.138E-01 0.109E-01
DAV: 19 -0.383526264394E+03 -0.72804E-02 -0.15127E-03 324 0.106E-01 0.827E-02
DAV: 20 -0.383531664783E+03 -0.54004E-02 -0.41121E-04 316 0.548E-02 0.645E-02
DAV: 21 -0.383536983503E+03 -0.53187E-02 -0.69349E-04 396 0.737E-02 0.591E-02
DAV: 22 -0.383536815141E+03 0.16836E-03 -0.18396E-04 308 0.296E-02 0.671E-02
DAV: 23 -0.383537043274E+03 -0.22813E-03 -0.91187E-06 244 0.968E-03 0.744E-02
DAV: 24 -0.383537823289E+03 -0.78002E-03 -0.16499E-04 364 0.331E-02 0.490E-02
DAV: 25 -0.383541546412E+03 -0.37231E-02 -0.90261E-04 332 0.675E-02 0.654E-02
DAV: 26 -0.383541619963E+03 -0.73551E-04 -0.21613E-04 308 0.289E-02 0.821E-02
DAV: 27 -0.383541509901E+03 0.11006E-03 -0.45968E-06 228 0.628E-03 0.784E-02
DAV: 28 -0.383541579643E+03 -0.69742E-04 -0.30139E-05 260 0.232E-02 0.541E-02
DAV: 29 -0.383542294217E+03 -0.71457E-03 -0.68735E-05 316 0.228E-02 0.348E-02
DAV: 30 -0.383544155985E+03 -0.18618E-02 -0.94387E-05 284 0.281E-02 0.171E-02
DAV: 31 -0.383545426558E+03 -0.12706E-02 -0.12196E-04 316 0.298E-02 0.218E-02
DAV: 32 -0.383545838562E+03 -0.41200E-03 -0.59990E-05 316 0.188E-02 0.242E-02
DAV: 33 -0.383545965798E+03 -0.12724E-03 -0.91721E-06 260 0.804E-03 0.204E-02
DAV: 34 -0.383546137722E+03 -0.17192E-03 -0.83807E-06 228 0.703E-03 0.147E-02
DAV: 35 -0.383546224306E+03 -0.86584E-04 -0.38757E-06 228 0.419E-03 0.141E-02
DAV: 36 -0.383546242281E+03 -0.17975E-04 -0.10907E-06 228 0.274E-03 0.142E-02
DAV: 37 -0.383546275399E+03 -0.33119E-04 -0.12214E-06 196 0.291E-03 0.993E-03
DAV: 38 -0.383546296497E+03 -0.21098E-04 -0.11792E-06 220 0.394E-03 0.629E-03
DAV: 39 -0.383546304918E+03 -0.84213E-05 -0.20829E-06 220 0.331E-03
1 F= -.38354630E+03 E0= -.38356059E+03 d E =0.428581E-01