./iterations/neb0_image07_iter42_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 0.163023963425E+04 0.16302E+04 -0.42278E+04 306 0.696E+02
DAV: 2 0.303431874287E+03 -0.13268E+04 -0.12483E+04 420 0.167E+02
DAV: 3 -0.355334177478E+03 -0.65877E+03 -0.65175E+03 356 0.123E+02
DAV: 4 -0.433036578580E+03 -0.77702E+02 -0.77419E+02 308 0.545E+01
DAV: 5 -0.434800949028E+03 -0.17644E+01 -0.17611E+01 332 0.838E+00 0.426E+01
DAV: 6 -0.388980719330E+03 0.45820E+02 -0.14788E+02 308 0.285E+01 0.208E+01
DAV: 7 -0.385481548764E+03 0.34992E+01 -0.12530E+01 348 0.782E+00 0.104E+01
DAV: 8 -0.384051876498E+03 0.14297E+01 -0.20722E+00 332 0.375E+00 0.419E+00
DAV: 9 -0.383498379311E+03 0.55350E+00 -0.88935E-01 332 0.210E+00 0.132E+00
DAV: 10 -0.383446986155E+03 0.51393E-01 -0.46749E-01 364 0.104E+00 0.830E-01
DAV: 11 -0.383414751569E+03 0.32235E-01 -0.25233E-02 316 0.478E-01 0.638E-01
DAV: 12 -0.383397256041E+03 0.17496E-01 -0.12750E-01 356 0.560E-01 0.475E-01
DAV: 13 -0.383381068625E+03 0.16187E-01 -0.16466E-02 308 0.449E-01 0.417E-01
DAV: 14 -0.383375302420E+03 0.57662E-02 -0.25676E-02 324 0.411E-01 0.194E-01
DAV: 15 -0.383382495276E+03 -0.71929E-02 -0.13936E-02 292 0.323E-01 0.251E-01
DAV: 16 -0.383388286104E+03 -0.57908E-02 -0.15267E-02 332 0.302E-01 0.202E-01
DAV: 17 -0.383393183864E+03 -0.48978E-02 -0.67620E-03 324 0.205E-01 0.128E-01
DAV: 18 -0.383397915714E+03 -0.47318E-02 -0.27885E-03 332 0.162E-01 0.103E-01
DAV: 19 -0.383410420098E+03 -0.12504E-01 -0.24958E-02 332 0.312E-01 0.308E-01
DAV: 20 -0.383408502453E+03 0.19176E-02 -0.62698E-03 324 0.126E-01 0.167E-01
DAV: 21 -0.383409853241E+03 -0.13508E-02 -0.18351E-03 324 0.770E-02 0.777E-02
DAV: 22 -0.383415469844E+03 -0.56166E-02 -0.68130E-04 300 0.758E-02 0.670E-02
DAV: 23 -0.383418954475E+03 -0.34846E-02 -0.24122E-03 324 0.920E-02 0.618E-02
DAV: 24 -0.383422461006E+03 -0.35065E-02 -0.53022E-04 308 0.560E-02 0.470E-02
DAV: 25 -0.383424692113E+03 -0.22311E-02 -0.59358E-04 332 0.513E-02 0.240E-02
DAV: 26 -0.383425309968E+03 -0.61786E-03 -0.22947E-04 316 0.309E-02 0.222E-02
DAV: 27 -0.383425853450E+03 -0.54348E-03 -0.42481E-05 276 0.196E-02 0.238E-02
DAV: 28 -0.383426365579E+03 -0.51213E-03 -0.30886E-05 276 0.172E-02 0.233E-02
DAV: 29 -0.383426361215E+03 0.43637E-05 -0.90591E-06 252 0.726E-03
1 F= -.38342636E+03 E0= -.38344577E+03 d E =0.582322E-01