./iterations/neb0_image03_iter24_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.144887043652E+04 0.14489E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224723465210E+03 -0.12241E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362476891375E+03 -0.58720E+03 -0.58360E+03 345 0.114E+02
DAV: 4 -0.433395931308E+03 -0.70919E+02 -0.70688E+02 309 0.508E+01
DAV: 5 -0.434986221881E+03 -0.15903E+01 -0.15876E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389050394449E+03 0.45936E+02 -0.14794E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385605267542E+03 0.34451E+01 -0.13701E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.384130723702E+03 0.14745E+01 -0.20531E+00 336 0.385E+00 0.432E+00
DAV: 9 -0.383578270145E+03 0.55245E+00 -0.96817E-01 327 0.227E+00 0.121E+00
DAV: 10 -0.383520362700E+03 0.57907E-01 -0.29177E-01 327 0.103E+00 0.114E+00
DAV: 11 -0.383492713034E+03 0.27650E-01 -0.87419E-02 327 0.640E-01 0.819E-01
DAV: 12 -0.383469841932E+03 0.22871E-01 -0.38045E-02 336 0.471E-01 0.761E-01
DAV: 13 -0.383461346873E+03 0.84951E-02 -0.77491E-02 390 0.461E-01 0.631E-01
DAV: 14 -0.383444413048E+03 0.16934E-01 -0.43649E-02 327 0.457E-01 0.267E-01
DAV: 15 -0.383445027843E+03 -0.61479E-03 -0.13101E-02 309 0.326E-01 0.184E-01
DAV: 16 -0.383450917576E+03 -0.58897E-02 -0.40969E-03 309 0.204E-01 0.139E-01
DAV: 17 -0.383459460926E+03 -0.85433E-02 -0.16420E-03 300 0.142E-01 0.122E-01
DAV: 18 -0.383470924483E+03 -0.11464E-01 -0.28094E-03 309 0.164E-01 0.818E-02
DAV: 19 -0.383477193833E+03 -0.62693E-02 -0.10608E-03 318 0.104E-01 0.504E-02
DAV: 20 -0.383484747607E+03 -0.75538E-02 -0.57090E-04 327 0.580E-02 0.342E-02
DAV: 21 -0.383490890538E+03 -0.61429E-02 -0.30184E-04 300 0.393E-02 0.279E-02
DAV: 22 -0.383494587572E+03 -0.36970E-02 -0.20955E-04 309 0.308E-02 0.136E-02
DAV: 23 -0.383496298261E+03 -0.17107E-02 -0.61077E-05 309 0.163E-02 0.129E-02
DAV: 24 -0.383497862265E+03 -0.15640E-02 -0.62617E-05 273 0.147E-02 0.723E-03
DAV: 25 -0.383498808300E+03 -0.94603E-03 -0.52295E-05 309 0.124E-02 0.687E-03
DAV: 26 -0.383499093560E+03 -0.28526E-03 -0.72716E-06 237 0.773E-03 0.328E-03
DAV: 27 -0.383499294726E+03 -0.20117E-03 -0.96303E-06 210 0.664E-03 0.406E-03
DAV: 28 -0.383499349722E+03 -0.54996E-04 -0.21566E-06 228 0.328E-03 0.342E-03
DAV: 29 -0.383499390204E+03 -0.40482E-04 -0.19004E-06 201 0.379E-03 0.142E-03
DAV: 30 -0.383499416040E+03 -0.25837E-04 -0.17479E-06 219 0.324E-03 0.162E-03
DAV: 31 -0.383499432072E+03 -0.16032E-04 -0.62559E-07 201 0.177E-03 0.138E-03
DAV: 32 -0.383499443377E+03 -0.11305E-04 -0.81626E-07 219 0.260E-03 0.735E-04
DAV: 33 -0.383499445551E+03 -0.21748E-05 -0.22763E-07 228 0.126E-03
1 F= -.38349945E+03 E0= -.38351602E+03 d E =0.497226E-01