iterations/neb0_image06_iter15_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 0.162118367025E+04 0.16212E+04 -0.42285E+04 306 0.697E+02
DAV: 2 0.301434242764E+03 -0.13197E+04 -0.12413E+04 420 0.168E+02
DAV: 3 -0.357912143020E+03 -0.65935E+03 -0.65490E+03 364 0.123E+02
DAV: 4 -0.433274900422E+03 -0.75363E+02 -0.75088E+02 308 0.528E+01
DAV: 5 -0.434966344039E+03 -0.16914E+01 -0.16890E+01 348 0.811E+00 0.427E+01
DAV: 6 -0.388918133009E+03 0.46048E+02 -0.15064E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385426503296E+03 0.34916E+01 -0.12620E+01 340 0.772E+00 0.104E+01
DAV: 8 -0.384001344569E+03 0.14252E+01 -0.27205E+00 332 0.391E+00 0.433E+00
DAV: 9 -0.383454633868E+03 0.54671E+00 -0.91720E-01 332 0.205E+00 0.114E+00
DAV: 10 -0.383385150431E+03 0.69483E-01 -0.24664E-01 340 0.100E+00 0.871E-01
DAV: 11 -0.383359941486E+03 0.25209E-01 -0.41736E-02 316 0.508E-01 0.602E-01
DAV: 12 -0.383344358562E+03 0.15583E-01 -0.13532E-01 324 0.505E-01 0.457E-01
DAV: 13 -0.383336154956E+03 0.82036E-02 -0.16127E-02 308 0.332E-01 0.443E-01
DAV: 14 -0.383336216818E+03 -0.61861E-04 -0.65943E-02 332 0.385E-01 0.531E-01
DAV: 15 -0.383338576648E+03 -0.23598E-02 -0.30468E-02 356 0.299E-01 0.368E-01
DAV: 16 -0.383343516934E+03 -0.49403E-02 -0.48033E-03 300 0.172E-01 0.143E-01
DAV: 17 -0.383350994882E+03 -0.74779E-02 -0.18720E-03 292 0.110E-01 0.874E-02
DAV: 18 -0.383364178851E+03 -0.13184E-01 -0.33461E-03 292 0.147E-01 0.936E-02
DAV: 19 -0.383371299690E+03 -0.71208E-02 -0.16546E-03 316 0.112E-01 0.858E-02
DAV: 20 -0.383378468311E+03 -0.71686E-02 -0.60311E-04 316 0.607E-02 0.532E-02
DAV: 21 -0.383384261681E+03 -0.57934E-02 -0.39554E-04 324 0.477E-02 0.403E-02
DAV: 22 -0.383386523072E+03 -0.22614E-02 -0.20905E-04 340 0.333E-02 0.216E-02
DAV: 23 -0.383388794868E+03 -0.22718E-02 -0.93200E-05 300 0.202E-02 0.191E-02
DAV: 24 -0.383390363842E+03 -0.15690E-02 -0.77200E-05 292 0.154E-02 0.138E-02
DAV: 25 -0.383391009841E+03 -0.64600E-03 -0.33833E-05 252 0.118E-02 0.668E-03
DAV: 26 -0.383391341678E+03 -0.33184E-03 -0.14243E-05 228 0.822E-03 0.637E-03
DAV: 27 -0.383391490772E+03 -0.14909E-03 -0.56203E-06 204 0.506E-03 0.354E-03
DAV: 28 -0.383391606070E+03 -0.11530E-03 -0.47020E-06 228 0.456E-03 0.245E-03
DAV: 29 -0.383391637001E+03 -0.30930E-04 -0.19077E-06 220 0.268E-03 0.203E-03
DAV: 30 -0.383391662091E+03 -0.25090E-04 -0.11313E-06 220 0.241E-03 0.856E-04
DAV: 31 -0.383391683874E+03 -0.21783E-04 -0.88559E-07 212 0.174E-03 0.687E-04
DAV: 32 -0.383391688128E+03 -0.42541E-05 -0.24823E-07 228 0.104E-03
1 F= -.38339169E+03 E0= -.38340491E+03 d E =0.396571E-01