./iterations/neb0_image02_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 0.144807594165E+04 0.14481E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224463227671E+03 -0.12236E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362856887926E+03 -0.58732E+03 -0.58418E+03 345 0.114E+02
DAV: 4 -0.433465317917E+03 -0.70608E+02 -0.70371E+02 309 0.508E+01
DAV: 5 -0.435049214599E+03 -0.15839E+01 -0.15813E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389088318497E+03 0.45961E+02 -0.14802E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385622413250E+03 0.34659E+01 -0.13516E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384143804463E+03 0.14786E+01 -0.20607E+00 327 0.383E+00 0.432E+00
DAV: 9 -0.383603748304E+03 0.54006E+00 -0.15827E+00 345 0.240E+00 0.138E+00
DAV: 10 -0.383546731671E+03 0.57017E-01 -0.46016E-01 318 0.116E+00 0.988E-01
DAV: 11 -0.383505852973E+03 0.40879E-01 -0.97436E-02 336 0.652E-01 0.768E-01
DAV: 12 -0.383493107703E+03 0.12745E-01 -0.93188E-02 354 0.713E-01 0.103E+00
DAV: 13 -0.383473296731E+03 0.19811E-01 -0.18792E-01 354 0.531E-01 0.697E-01
DAV: 14 -0.383461861129E+03 0.11436E-01 -0.57829E-02 327 0.384E-01 0.340E-01
DAV: 15 -0.383457467267E+03 0.43939E-02 -0.13071E-02 327 0.402E-01 0.172E-01
DAV: 16 -0.383465576399E+03 -0.81091E-02 -0.15701E-02 327 0.318E-01 0.359E-01
DAV: 17 -0.383465678521E+03 -0.10212E-03 -0.28273E-03 318 0.141E-01 0.293E-01
DAV: 18 -0.383472773070E+03 -0.70945E-02 -0.50234E-03 300 0.157E-01 0.190E-01
DAV: 19 -0.383482496659E+03 -0.97236E-02 -0.37526E-03 300 0.143E-01 0.152E-01
DAV: 20 -0.383487835811E+03 -0.53392E-02 -0.84596E-04 327 0.851E-02 0.112E-01
DAV: 21 -0.383498050600E+03 -0.10215E-01 -0.11491E-03 300 0.102E-01 0.419E-02
DAV: 22 -0.383501983703E+03 -0.39331E-02 -0.34900E-04 327 0.546E-02 0.352E-02
DAV: 23 -0.383503599276E+03 -0.16156E-02 -0.83992E-05 327 0.240E-02 0.273E-02
DAV: 24 -0.383507189191E+03 -0.35899E-02 -0.17897E-04 291 0.256E-02 0.175E-02
DAV: 25 -0.383508248863E+03 -0.10597E-02 -0.24898E-05 264 0.121E-02 0.210E-02
DAV: 26 -0.383509986160E+03 -0.17373E-02 -0.99550E-05 282 0.175E-02 0.901E-03
DAV: 27 -0.383510369670E+03 -0.38351E-03 -0.15329E-05 255 0.940E-03 0.730E-03
DAV: 28 -0.383510587760E+03 -0.21809E-03 -0.70171E-06 219 0.663E-03 0.471E-03
DAV: 29 -0.383510770369E+03 -0.18261E-03 -0.62815E-06 219 0.538E-03 0.401E-03
DAV: 30 -0.383510845850E+03 -0.75482E-04 -0.24433E-06 228 0.331E-03 0.251E-03
DAV: 31 -0.383510910265E+03 -0.64414E-04 -0.32691E-06 201 0.421E-03 0.172E-03
DAV: 32 -0.383510925499E+03 -0.15234E-04 -0.92777E-07 228 0.240E-03 0.139E-03
DAV: 33 -0.383510938329E+03 -0.12830E-04 -0.69359E-07 183 0.205E-03 0.103E-03
DAV: 34 -0.383510950237E+03 -0.11909E-04 -0.34794E-07 219 0.129E-03 0.952E-04
DAV: 35 -0.383510954905E+03 -0.46678E-05 -0.19438E-07 228 0.888E-04
1 F= -.38351095E+03 E0= -.38352759E+03 d E =0.499035E-01