iterations/neb1_max2_image04_iter1_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.424652706298E+04 0.42465E+04 -0.25414E+05 9032 0.103E+03
DAV: 2 -0.980032062068E+02 -0.43445E+04 -0.39446E+04 11000 0.249E+02
DAV: 3 -0.421557559159E+03 -0.32355E+03 -0.30269E+03 10256 0.658E+01
DAV: 4 -0.429936325304E+03 -0.83788E+01 -0.82725E+01 10912 0.106E+01
DAV: 5 -0.430229491721E+03 -0.29317E+00 -0.29243E+00 11048 0.192E+00 0.107E+02
RMM: 6 -0.379629747533E+03 0.50600E+02 -0.10923E+02 9706 0.145E+01 0.774E+01
RMM: 7 -0.872366653234E+03 -0.49274E+03 -0.56503E+02 11806 0.213E+01 0.153E+02
RMM: 8 -0.504963685049E+03 0.36740E+03 -0.12757E+02 10029 0.120E+01 0.937E+01
RMM: 9 -0.411430397344E+03 0.93533E+02 -0.83978E+01 10209 0.117E+01 0.570E+01
RMM: 10 -0.376644155151E+03 0.34786E+02 -0.38662E+01 10269 0.794E+00 0.362E+01
RMM: 11 -0.377698476997E+03 -0.10543E+01 -0.20110E+01 10316 0.533E+00 0.393E+01
RMM: 12 -0.370933678933E+03 0.67648E+01 -0.71987E+00 10051 0.364E+00 0.285E+01
RMM: 13 -0.364408580008E+03 0.65251E+01 -0.28931E+00 10186 0.218E+00 0.190E+01
RMM: 14 -0.367654414748E+03 -0.32458E+01 -0.18610E+00 10359 0.181E+00 0.132E+01
RMM: 15 -0.374479770470E+03 -0.68254E+01 -0.16835E+00 10469 0.163E+00 0.175E+01
RMM: 16 -0.376711589407E+03 -0.22318E+01 -0.18673E+00 10646 0.175E+00 0.118E+01
RMM: 17 -0.380898887368E+03 -0.41873E+01 -0.14784E+00 10741 0.148E+00 0.877E+00
RMM: 18 -0.384801438408E+03 -0.39026E+01 -0.77376E-01 10355 0.111E+00 0.708E+00
RMM: 19 -0.388222082225E+03 -0.34206E+01 -0.79289E-01 10870 0.111E+00 0.859E+00
RMM: 20 -0.390544374526E+03 -0.23223E+01 -0.64569E-01 11075 0.931E-01 0.913E+00
RMM: 21 -0.391586432219E+03 -0.10421E+01 -0.22869E-01 10591 0.539E-01 0.917E+00
RMM: 22 -0.393140802449E+03 -0.15544E+01 -0.41235E-01 11399 0.639E-01 0.853E+00
RMM: 23 -0.396816277595E+03 -0.36755E+01 -0.17176E+00 13278 0.124E+00 0.684E+00
RMM: 24 -0.400275650462E+03 -0.34594E+01 -0.13193E+00 13145 0.104E+00 0.609E+00
RMM: 25 -0.401638396480E+03 -0.13627E+01 -0.21929E-01 11383 0.442E-01 0.628E+00
RMM: 26 -0.401998074001E+03 -0.35968E+00 -0.58441E-02 10614 0.235E-01 0.631E+00
RMM: 27 -0.402217706778E+03 -0.21963E+00 -0.27613E-02 10715 0.149E-01 0.627E+00
RMM: 28 -0.401741991015E+03 0.47572E+00 -0.31810E-02 10590 0.196E-01 0.626E+00
RMM: 29 -0.401382930221E+03 0.35906E+00 -0.13264E-01 13599 0.443E-01 0.511E+00
RMM: 30 -0.401912704085E+03 -0.52977E+00 -0.26237E-01 14974 0.613E-01 0.652E+00
RMM: 31 -0.401970284238E+03 -0.57580E-01 -0.28312E-02 11059 0.219E-01 0.738E+00
RMM: 32 -0.404714919231E+03 -0.27446E+01 -0.96787E-01 16076 0.105E+00 0.528E+00
RMM: 33 -0.405486644066E+03 -0.77172E+00 -0.38132E-01 15338 0.622E-01 0.565E+00
RMM: 34 -0.406467487749E+03 -0.98084E+00 -0.39844E-01 15283 0.615E-01 0.437E+00
RMM: 35 -0.407381817661E+03 -0.91433E+00 -0.45711E-02 11842 0.259E-01 0.331E+00
RMM: 36 -0.407390689494E+03 -0.88718E-02 -0.14635E-02 10628 0.155E-01 0.314E+00
RMM: 37 -0.407501402886E+03 -0.11071E+00 -0.13794E-02 10720 0.160E-01 0.290E+00
RMM: 38 -0.407919594267E+03 -0.41819E+00 -0.29471E-02 11606 0.227E-01 0.212E+00
RMM: 39 -0.408171491243E+03 -0.25190E+00 -0.19780E-02 11286 0.173E-01 0.171E+00
RMM: 40 -0.408277260537E+03 -0.10577E+00 -0.73083E-03 10464 0.107E-01 0.151E+00
RMM: 41 -0.408371280741E+03 -0.94020E-01 -0.33599E-03 10285 0.690E-02 0.143E+00
RMM: 42 -0.408456245091E+03 -0.84964E-01 -0.37463E-03 10865 0.690E-02 0.134E+00
RMM: 43 -0.408520673493E+03 -0.64428E-01 -0.57250E-03 11558 0.805E-02 0.115E+00
RMM: 44 -0.408618487867E+03 -0.97814E-01 -0.84210E-03 12211 0.906E-02 0.837E-01
RMM: 45 -0.408786705267E+03 -0.16822E+00 -0.11141E-02 12686 0.102E-01 0.576E-01
RMM: 46 -0.408901184501E+03 -0.11448E+00 -0.14294E-02 13133 0.115E-01 0.615E-01
RMM: 47 -0.408933581816E+03 -0.32397E-01 -0.58437E-03 11828 0.752E-02 0.716E-01
RMM: 48 -0.409078638087E+03 -0.14506E+00 -0.54748E-03 11676 0.726E-02 0.729E-01
RMM: 49 -0.409144494114E+03 -0.65856E-01 -0.35966E-03 11215 0.619E-02 0.492E-01
RMM: 50 -0.409174462226E+03 -0.29968E-01 -0.17235E-03 10838 0.424E-02 0.357E-01
RMM: 51 -0.409140658449E+03 0.33804E-01 -0.74118E-03 13034 0.808E-02 0.179E-01
RMM: 52 -0.409180025938E+03 -0.39367E-01 -0.13640E-03 11127 0.372E-02 0.133E-01
RMM: 53 -0.409219363099E+03 -0.39337E-01 -0.13266E-03 11439 0.316E-02 0.104E-01
RMM: 54 -0.409249324593E+03 -0.29961E-01 -0.46256E-04 10698 0.190E-02 0.934E-02
RMM: 55 -0.409284416064E+03 -0.35091E-01 -0.44986E-04 11061 0.180E-02 0.798E-02
RMM: 56 -0.409290130169E+03 -0.57141E-02 -0.11520E-04 10335 0.129E-02 0.614E-02
RMM: 57 -0.409305937994E+03 -0.15808E-01 -0.14833E-04 9794 0.109E-02 0.367E-02
RMM: 58 -0.409311718265E+03 -0.57803E-02 -0.60217E-05 8693 0.725E-03 0.360E-02
RMM: 59 -0.409315175331E+03 -0.34571E-02 -0.49590E-05 8241 0.632E-03 0.260E-02
RMM: 60 -0.409316395315E+03 -0.12200E-02 -0.31721E-05 7807 0.513E-03 0.159E-02
RMM: 61 -0.409317124727E+03 -0.72941E-03 -0.22669E-05 7284 0.412E-03 0.163E-02
RMM: 62 -0.409317821415E+03 -0.69669E-03 -0.91295E-06 6746 0.273E-03 0.138E-02
RMM: 63 -0.409318374340E+03 -0.55293E-03 -0.10473E-05 6537 0.239E-03 0.752E-03
RMM: 64 -0.409318714108E+03 -0.33977E-03 -0.58927E-06 6603 0.207E-03 0.161E-02
RMM: 65 -0.409318794086E+03 -0.79978E-04 -0.14421E-06 4048 0.113E-03 0.104E-02
RMM: 66 -0.409318922084E+03 -0.12800E-03 -0.17012E-06 5085 0.132E-03 0.924E-03
RMM: 67 -0.409319008202E+03 -0.86118E-04 -0.10830E-06 4340 0.115E-03 0.115E-02
RMM: 68 -0.409319072809E+03 -0.64607E-04 -0.70012E-07 3874 0.102E-03 0.136E-02
RMM: 69 -0.409319097644E+03 -0.24835E-04 -0.22704E-07 2769 0.816E-04 0.958E-03
RMM: 70 -0.409319134474E+03 -0.36830E-04 -0.30354E-07 3056 0.858E-04 0.749E-03
RMM: 71 -0.409319150008E+03 -0.15534E-04 -0.41494E-07 3226 0.894E-04 0.468E-03
RMM: 72 -0.409319169218E+03 -0.19210E-04 -0.49163E-07 3447 0.928E-04 0.235E-03
RMM: 73 -0.409319177118E+03 -0.79004E-05 -0.18281E-07 2797 0.836E-04
1 F= -.44707825E+03 E0= -.44707772E+03 d E =-.159237E-02 mag= -0.0006