./iterations/neb0_image07_iter1_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.162991556946E+04 0.16299E+04 -0.42281E+04 306 0.696E+02
DAV: 2 0.304618732042E+03 -0.13253E+04 -0.12459E+04 420 0.167E+02
DAV: 3 -0.357135809088E+03 -0.66175E+03 -0.65762E+03 364 0.123E+02
DAV: 4 -0.432661813692E+03 -0.75526E+02 -0.75246E+02 308 0.531E+01
DAV: 5 -0.434353830056E+03 -0.16920E+01 -0.16888E+01 332 0.817E+00 0.426E+01
DAV: 6 -0.388500067451E+03 0.45854E+02 -0.14847E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385009541062E+03 0.34905E+01 -0.12597E+01 348 0.788E+00 0.104E+01
DAV: 8 -0.383590387499E+03 0.14192E+01 -0.25428E+00 332 0.393E+00 0.422E+00
DAV: 9 -0.383022243721E+03 0.56814E+00 -0.64769E-01 332 0.205E+00 0.956E-01
DAV: 10 -0.382965399046E+03 0.56845E-01 -0.13433E-01 356 0.998E-01 0.683E-01
DAV: 11 -0.382941191665E+03 0.24207E-01 -0.27171E-02 324 0.443E-01 0.477E-01
DAV: 12 -0.382921669545E+03 0.19522E-01 -0.77324E-02 316 0.520E-01 0.647E-01
DAV: 13 -0.382913106768E+03 0.85628E-02 -0.57686E-02 340 0.333E-01 0.257E-01
DAV: 14 -0.382911152144E+03 0.19546E-02 -0.17315E-02 324 0.422E-01 0.325E-01
DAV: 15 -0.382912726476E+03 -0.15743E-02 -0.13538E-02 308 0.219E-01 0.145E-01
DAV: 16 -0.382922833373E+03 -0.10107E-01 -0.60961E-03 308 0.234E-01 0.150E-01
DAV: 17 -0.382934950682E+03 -0.12117E-01 -0.42914E-03 300 0.224E-01 0.775E-02
DAV: 18 -0.382944172972E+03 -0.92223E-02 -0.27675E-03 348 0.179E-01 0.102E-01
DAV: 19 -0.382950391957E+03 -0.62190E-02 -0.82526E-04 324 0.105E-01 0.627E-02
DAV: 20 -0.382954306949E+03 -0.39150E-02 -0.47590E-04 340 0.772E-02 0.491E-02
DAV: 21 -0.382955857043E+03 -0.15501E-02 -0.21576E-04 324 0.480E-02 0.454E-02
DAV: 22 -0.382955799922E+03 0.57121E-04 -0.36934E-05 308 0.145E-02 0.468E-02
DAV: 23 -0.382955708246E+03 0.91675E-04 -0.10007E-06 244 0.412E-03 0.462E-02
DAV: 24 -0.382956092699E+03 -0.38445E-03 -0.59518E-04 380 0.824E-02 0.461E-02
DAV: 25 -0.382957142132E+03 -0.10494E-02 -0.70291E-04 380 0.873E-02 0.619E-02
DAV: 26 -0.382957123920E+03 0.18212E-04 -0.18830E-04 324 0.376E-02 0.708E-02
DAV: 27 -0.382957994045E+03 -0.87013E-03 -0.17748E-04 372 0.579E-02 0.807E-02
DAV: 28 -0.382958638352E+03 -0.64431E-03 -0.13271E-03 420 0.186E-01 0.112E-01
DAV: 29 -0.382959701562E+03 -0.10632E-02 -0.30178E-03 380 0.327E-01 0.859E-02
DAV: 30 -0.382960926652E+03 -0.12251E-02 -0.28638E-03 316 0.128E-01 0.699E-02
DAV: 31 -0.382961511573E+03 -0.58492E-03 -0.58755E-04 372 0.837E-02 0.823E-02
DAV: 32 -0.382961318947E+03 0.19263E-03 -0.27547E-04 388 0.694E-02 0.897E-02
DAV: 33 -0.382961516866E+03 -0.19792E-03 -0.16784E-04 300 0.406E-02 0.760E-02
DAV: 34 -0.382962134341E+03 -0.61748E-03 -0.46048E-05 284 0.152E-02 0.740E-02
DAV: 35 -0.382963295696E+03 -0.11614E-02 -0.45714E-04 364 0.105E-01 0.498E-02
DAV: 36 -0.382964035645E+03 -0.73995E-03 -0.20903E-03 404 0.217E-01 0.435E-02
DAV: 37 -0.382964287217E+03 -0.25157E-03 -0.11832E-03 316 0.675E-02 0.553E-02
DAV: 38 -0.382964295283E+03 -0.80667E-05 -0.22384E-05 300 0.105E-02
1 F= -.38296430E+03 E0= -.38297880E+03 d E =0.435291E-01