./iterations/neb0_image03_iter23_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 0.144884827052E+04 0.14488E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224737121148E+03 -0.12241E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362459592875E+03 -0.58720E+03 -0.58357E+03 345 0.114E+02
DAV: 4 -0.433389457008E+03 -0.70930E+02 -0.70698E+02 309 0.508E+01
DAV: 5 -0.434980021102E+03 -0.15906E+01 -0.15879E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389050918751E+03 0.45929E+02 -0.14793E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385606486638E+03 0.34444E+01 -0.13742E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384135344702E+03 0.14711E+01 -0.21000E+00 336 0.385E+00 0.434E+00
DAV: 9 -0.383594528048E+03 0.54082E+00 -0.15859E+00 327 0.242E+00 0.140E+00
DAV: 10 -0.383537050195E+03 0.57478E-01 -0.48096E-01 327 0.119E+00 0.996E-01
DAV: 11 -0.383494551453E+03 0.42499E-01 -0.10306E-01 336 0.673E-01 0.787E-01
DAV: 12 -0.383483046255E+03 0.11505E-01 -0.98393E-02 345 0.711E-01 0.106E+00
DAV: 13 -0.383464084010E+03 0.18962E-01 -0.21528E-01 345 0.554E-01 0.766E-01
DAV: 14 -0.383450708531E+03 0.13375E-01 -0.68017E-02 318 0.394E-01 0.371E-01
DAV: 15 -0.383447513724E+03 0.31948E-02 -0.22258E-02 336 0.416E-01 0.290E-01
DAV: 16 -0.383450275688E+03 -0.27620E-02 -0.12495E-02 318 0.243E-01 0.414E-01
DAV: 17 -0.383455209904E+03 -0.49342E-02 -0.79040E-03 291 0.191E-01 0.239E-01
DAV: 18 -0.383464179313E+03 -0.89694E-02 -0.40552E-03 300 0.173E-01 0.118E-01
DAV: 19 -0.383470135512E+03 -0.59562E-02 -0.15396E-03 336 0.126E-01 0.976E-02
DAV: 20 -0.383480639102E+03 -0.10504E-01 -0.12240E-03 300 0.101E-01 0.116E-01
DAV: 21 -0.383486250873E+03 -0.56118E-02 -0.49516E-04 345 0.732E-02 0.411E-02
DAV: 22 -0.383490971099E+03 -0.47202E-02 -0.43958E-04 309 0.524E-02 0.352E-02
DAV: 23 -0.383494667733E+03 -0.36966E-02 -0.12857E-04 318 0.265E-02 0.361E-02
DAV: 24 -0.383497508991E+03 -0.28413E-02 -0.16633E-04 309 0.253E-02 0.122E-02
DAV: 25 -0.383498736313E+03 -0.12273E-02 -0.54880E-05 300 0.149E-02 0.139E-02
DAV: 26 -0.383499251446E+03 -0.51513E-03 -0.12592E-05 237 0.762E-03 0.544E-03
DAV: 27 -0.383499753045E+03 -0.50160E-03 -0.24014E-05 237 0.786E-03 0.579E-03
DAV: 28 -0.383499956744E+03 -0.20370E-03 -0.58995E-06 237 0.526E-03 0.396E-03
DAV: 29 -0.383500050902E+03 -0.94158E-04 -0.34225E-06 228 0.346E-03 0.259E-03
DAV: 30 -0.383500125155E+03 -0.74252E-04 -0.21652E-06 201 0.298E-03 0.149E-03
DAV: 31 -0.383500158121E+03 -0.32967E-04 -0.14986E-06 219 0.229E-03 0.135E-03
DAV: 32 -0.383500174297E+03 -0.16176E-04 -0.78822E-07 219 0.183E-03 0.158E-03
DAV: 33 -0.383500182084E+03 -0.77877E-05 -0.43491E-07 210 0.132E-03
1 F= -.38350018E+03 E0= -.38351682E+03 d E =0.499247E-01