./iterations/neb0_image09_iter5_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 0.145256314653E+04 0.14526E+04 -0.44267E+04 330 0.697E+02
DAV: 2 0.236554078664E+03 -0.12160E+04 -0.11422E+04 417 0.163E+02
DAV: 3 -0.360303860945E+03 -0.59686E+03 -0.59322E+03 363 0.114E+02
DAV: 4 -0.431564549914E+03 -0.71261E+02 -0.70960E+02 318 0.496E+01
DAV: 5 -0.433138337929E+03 -0.15738E+01 -0.15709E+01 318 0.770E+00 0.427E+01
DAV: 6 -0.387615022380E+03 0.45523E+02 -0.14695E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.384171862259E+03 0.34432E+01 -0.12809E+01 345 0.784E+00 0.104E+01
DAV: 8 -0.382738588669E+03 0.14333E+01 -0.26342E+00 336 0.401E+00 0.433E+00
DAV: 9 -0.382200658695E+03 0.53793E+00 -0.12047E+00 345 0.235E+00 0.124E+00
DAV: 10 -0.382127994714E+03 0.72664E-01 -0.29684E-01 336 0.119E+00 0.106E+00
DAV: 11 -0.382107908165E+03 0.20087E-01 -0.24224E-01 327 0.663E-01 0.712E-01
DAV: 12 -0.382083002154E+03 0.24906E-01 -0.36683E-02 327 0.421E-01 0.619E-01
DAV: 13 -0.382068529264E+03 0.14473E-01 -0.97466E-02 381 0.619E-01 0.762E-01
DAV: 14 -0.382060508013E+03 0.80213E-02 -0.58653E-02 309 0.388E-01 0.617E-01
DAV: 15 -0.382059147876E+03 0.13601E-02 -0.24558E-02 372 0.343E-01 0.464E-01
DAV: 16 -0.382058783311E+03 0.36456E-03 -0.27910E-02 291 0.305E-01 0.149E-01
DAV: 17 -0.382065300906E+03 -0.65176E-02 -0.43051E-03 309 0.207E-01 0.148E-01
DAV: 18 -0.382075493933E+03 -0.10193E-01 -0.28880E-03 327 0.190E-01 0.952E-02
DAV: 19 -0.382086143349E+03 -0.10649E-01 -0.21520E-03 300 0.158E-01 0.850E-02
DAV: 20 -0.382091383809E+03 -0.52405E-02 -0.10096E-03 327 0.844E-02 0.583E-02
DAV: 21 -0.382094725993E+03 -0.33422E-02 -0.13749E-04 336 0.285E-02 0.520E-02
DAV: 22 -0.382101941428E+03 -0.72154E-02 -0.68299E-04 300 0.544E-02 0.266E-02
DAV: 23 -0.382104016783E+03 -0.20754E-02 -0.95657E-05 327 0.234E-02 0.261E-02
DAV: 24 -0.382104851892E+03 -0.83511E-03 -0.44561E-05 282 0.169E-02 0.241E-02
DAV: 25 -0.382106606773E+03 -0.17549E-02 -0.10799E-04 282 0.206E-02 0.845E-03
DAV: 26 -0.382107171837E+03 -0.56506E-03 -0.16732E-05 237 0.936E-03 0.715E-03
DAV: 27 -0.382107628417E+03 -0.45658E-03 -0.19047E-05 228 0.895E-03 0.554E-03
DAV: 28 -0.382107876140E+03 -0.24772E-03 -0.78328E-06 219 0.700E-03 0.389E-03
DAV: 29 -0.382107955215E+03 -0.79076E-04 -0.35168E-06 237 0.468E-03 0.231E-03
DAV: 30 -0.382108046372E+03 -0.91157E-04 -0.37458E-06 192 0.469E-03 0.261E-03
DAV: 31 -0.382108097026E+03 -0.50654E-04 -0.19080E-06 219 0.302E-03 0.115E-03
DAV: 32 -0.382108118635E+03 -0.21609E-04 -0.11613E-06 219 0.233E-03 0.849E-04
DAV: 33 -0.382108134207E+03 -0.15572E-04 -0.63634E-07 201 0.182E-03 0.419E-04
DAV: 34 -0.382108139396E+03 -0.51894E-05 -0.32911E-07 228 0.111E-03
1 F= -.38210814E+03 E0= -.38212510E+03 d E =0.508804E-01