./iterations/neb0_image03_iter40_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.151033631537E+04 0.15103E+04 -0.43528E+04 322 0.697E+02
DAV: 2 0.254382680147E+03 -0.12560E+04 -0.11784E+04 428 0.164E+02
DAV: 3 -0.354512644630E+03 -0.60890E+03 -0.60476E+03 348 0.118E+02
DAV: 4 -0.433155008532E+03 -0.78642E+02 -0.78318E+02 308 0.536E+01
DAV: 5 -0.435018963022E+03 -0.18640E+01 -0.18606E+01 332 0.832E+00 0.426E+01
DAV: 6 -0.389195974225E+03 0.45823E+02 -0.14856E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385740872780E+03 0.34551E+01 -0.12549E+01 340 0.778E+00 0.104E+01
DAV: 8 -0.384319009493E+03 0.14219E+01 -0.19746E+00 332 0.372E+00 0.419E+00
DAV: 9 -0.383778907452E+03 0.54010E+00 -0.89981E-01 324 0.201E+00 0.140E+00
DAV: 10 -0.383729312740E+03 0.49595E-01 -0.56183E-01 348 0.960E-01 0.794E-01
DAV: 11 -0.383697877001E+03 0.31436E-01 -0.44581E-02 324 0.517E-01 0.593E-01
DAV: 12 -0.383681501917E+03 0.16375E-01 -0.52747E-02 348 0.443E-01 0.560E-01
DAV: 13 -0.383661468785E+03 0.20033E-01 -0.30150E-02 324 0.481E-01 0.292E-01
DAV: 14 -0.383661863330E+03 -0.39454E-03 -0.42577E-02 348 0.463E-01 0.592E-01
DAV: 15 -0.383661463977E+03 0.39935E-03 -0.57855E-02 324 0.276E-01 0.236E-01
DAV: 16 -0.383668142260E+03 -0.66783E-02 -0.76543E-03 292 0.181E-01 0.117E-01
DAV: 17 -0.383681255872E+03 -0.13114E-01 -0.54105E-03 292 0.244E-01 0.112E-01
DAV: 18 -0.383690450188E+03 -0.91943E-02 -0.37754E-03 332 0.185E-01 0.120E-01
DAV: 19 -0.383697435543E+03 -0.69854E-02 -0.17173E-03 356 0.131E-01 0.775E-02
DAV: 20 -0.383701522866E+03 -0.40873E-02 -0.33153E-04 316 0.615E-02 0.557E-02
DAV: 21 -0.383707195592E+03 -0.56727E-02 -0.51354E-04 308 0.778E-02 0.467E-02
DAV: 22 -0.383707781768E+03 -0.58618E-03 -0.24510E-04 332 0.383E-02 0.399E-02
DAV: 23 -0.383707765670E+03 0.16097E-04 -0.14722E-05 300 0.921E-03 0.398E-02
DAV: 24 -0.383707663886E+03 0.10178E-03 -0.11705E-06 212 0.280E-03 0.402E-02
DAV: 25 -0.383707639766E+03 0.24120E-04 -0.10123E-05 228 0.811E-03 0.423E-02
DAV: 26 -0.383707503954E+03 0.13581E-03 -0.51942E-04 316 0.691E-02 0.810E-02
DAV: 27 -0.383706874383E+03 0.62957E-03 -0.34118E-04 364 0.738E-02 0.693E-02
DAV: 28 -0.383706556379E+03 0.31800E-03 -0.24510E-04 324 0.433E-02 0.673E-02
DAV: 29 -0.383706542564E+03 0.13815E-04 -0.23917E-05 316 0.120E-02 0.693E-02
DAV: 30 -0.383706574070E+03 -0.31506E-04 -0.25962E-05 268 0.256E-02 0.648E-02
DAV: 31 -0.383709615312E+03 -0.30412E-02 -0.30625E-03 372 0.275E-01 0.990E-02
DAV: 32 -0.383710229182E+03 -0.61387E-03 -0.18477E-03 356 0.241E-01 0.637E-02
DAV: 33 -0.383712094983E+03 -0.18658E-02 -0.25477E-03 340 0.148E-01 0.489E-02
DAV: 34 -0.383713159554E+03 -0.10646E-02 -0.57068E-04 332 0.677E-02 0.547E-02
DAV: 35 -0.383713168845E+03 -0.92905E-05 -0.61368E-04 404 0.127E-01 0.841E-02
DAV: 36 -0.383712935955E+03 0.23289E-03 -0.93367E-04 356 0.907E-02 0.101E-01
DAV: 37 -0.383712707238E+03 0.22872E-03 -0.33757E-04 340 0.527E-02 0.102E-01
DAV: 38 -0.383712678128E+03 0.29109E-04 -0.28616E-05 300 0.125E-02 0.101E-01
DAV: 39 -0.383712714229E+03 -0.36100E-04 -0.19421E-06 220 0.644E-03 0.988E-02
DAV: 40 -0.383712780630E+03 -0.66401E-04 -0.39659E-06 212 0.679E-03 0.964E-02
DAV: 41 -0.383713165147E+03 -0.38452E-03 -0.94332E-05 324 0.429E-02 0.777E-02
DAV: 42 -0.383713819824E+03 -0.65468E-03 -0.54006E-04 372 0.986E-02 0.758E-02
DAV: 43 -0.383714301087E+03 -0.48126E-03 -0.73794E-04 356 0.829E-02 0.673E-02
DAV: 44 -0.383714611795E+03 -0.31071E-03 -0.27873E-04 404 0.756E-02 0.727E-02
DAV: 45 -0.383714849988E+03 -0.23819E-03 -0.26874E-04 380 0.778E-02 0.908E-02
DAV: 46 -0.383714975474E+03 -0.12549E-03 -0.28079E-04 324 0.474E-02 0.893E-02
DAV: 47 -0.383715014961E+03 -0.39487E-04 -0.26346E-05 300 0.132E-02 0.889E-02
DAV: 48 -0.383715075566E+03 -0.60604E-04 -0.49950E-06 204 0.102E-02 0.966E-02
DAV: 49 -0.383715182991E+03 -0.10743E-03 -0.47480E-05 300 0.290E-02 0.110E-01
DAV: 50 -0.383715181357E+03 0.16343E-05 -0.26740E-05 308 0.126E-02
1 F= -.38371518E+03 E0= -.38372964E+03 d E =0.433834E-01