iterations/neb2_max1_image03_iter1_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422208471716E+04 0.42221E+04 -0.25386E+05 9008 0.103E+03
DAV: 2 -0.104941209353E+03 -0.43270E+04 -0.39284E+04 11008 0.248E+02
DAV: 3 -0.426586142175E+03 -0.32164E+03 -0.30121E+03 10288 0.656E+01
DAV: 4 -0.435090220820E+03 -0.85041E+01 -0.83577E+01 10888 0.107E+01
DAV: 5 -0.435372128805E+03 -0.28191E+00 -0.28125E+00 11296 0.189E+00 0.102E+02
RMM: 6 -0.388200828217E+03 0.47171E+02 -0.10826E+02 9694 0.143E+01 0.727E+01
RMM: 7 -0.803285210762E+03 -0.41508E+03 -0.45725E+02 11401 0.195E+01 0.148E+02
RMM: 8 -0.500629872627E+03 0.30266E+03 -0.11815E+02 10037 0.115E+01 0.921E+01
RMM: 9 -0.411524187171E+03 0.89106E+02 -0.69610E+01 10172 0.108E+01 0.552E+01
RMM: 10 -0.397521459594E+03 0.14003E+02 -0.44278E+01 10336 0.868E+00 0.460E+01
RMM: 11 -0.387441639033E+03 0.10080E+02 -0.24126E+01 10273 0.589E+00 0.454E+01
RMM: 12 -0.374430493637E+03 0.13011E+02 -0.75948E+00 9964 0.372E+00 0.279E+01
RMM: 13 -0.375080230339E+03 -0.64974E+00 -0.34420E+00 10166 0.249E+00 0.234E+01
RMM: 14 -0.374171125191E+03 0.90911E+00 -0.13509E+00 10117 0.155E+00 0.151E+01
RMM: 15 -0.377810491400E+03 -0.36394E+01 -0.13618E+00 10446 0.151E+00 0.128E+01
RMM: 16 -0.383101428219E+03 -0.52909E+01 -0.13166E+00 10520 0.151E+00 0.141E+01
RMM: 17 -0.387548616996E+03 -0.44472E+01 -0.19170E+00 11105 0.166E+00 0.994E+00
RMM: 18 -0.390401225552E+03 -0.28526E+01 -0.67626E-01 10371 0.102E+00 0.665E+00
RMM: 19 -0.393907006655E+03 -0.35058E+01 -0.60260E-01 10756 0.919E-01 0.669E+00
RMM: 20 -0.396688036478E+03 -0.27810E+01 -0.70748E-01 11283 0.980E-01 0.711E+00
RMM: 21 -0.399810951759E+03 -0.31229E+01 -0.10478E+00 11849 0.108E+00 0.663E+00
RMM: 22 -0.402782002907E+03 -0.29711E+01 -0.88551E-01 11902 0.950E-01 0.576E+00
RMM: 23 -0.407338412204E+03 -0.45564E+01 -0.19957E+00 12914 0.126E+00 0.635E+00
RMM: 24 -0.409537019887E+03 -0.21986E+01 -0.78498E-01 12035 0.800E-01 0.706E+00
RMM: 25 -0.409764895351E+03 -0.22788E+00 -0.10951E-01 10763 0.318E-01 0.648E+00
RMM: 26 -0.409885622784E+03 -0.12073E+00 -0.13749E-02 11123 0.108E-01 0.631E+00
RMM: 27 -0.409855847402E+03 0.29775E-01 -0.32725E-03 10279 0.641E-02 0.577E+00
RMM: 28 -0.410010481450E+03 -0.15463E+00 -0.32872E-03 10526 0.623E-02 0.547E+00
RMM: 29 -0.409207697710E+03 0.80278E+00 -0.17372E-01 16212 0.426E-01 0.484E+00
RMM: 30 -0.409300712735E+03 -0.93015E-01 -0.47872E-01 17824 0.787E-01 0.770E+00
RMM: 31 -0.409002650017E+03 0.29806E+00 -0.15723E-01 16626 0.447E-01 0.102E+01
RMM: 32 -0.410408831579E+03 -0.14062E+01 -0.15107E+00 17854 0.120E+00 0.669E+00
RMM: 33 -0.412492772202E+03 -0.20839E+01 -0.50479E-01 17302 0.656E-01 0.675E+00
RMM: 34 -0.413639049241E+03 -0.11463E+01 -0.51753E-01 17566 0.704E-01 0.595E+00
RMM: 35 -0.414191007980E+03 -0.55196E+00 -0.24581E-01 16976 0.520E-01 0.410E+00
RMM: 36 -0.414355442744E+03 -0.16443E+00 -0.17338E-02 13291 0.166E-01 0.368E+00
RMM: 37 -0.414549535568E+03 -0.19409E+00 -0.15816E-02 12814 0.157E-01 0.351E+00
RMM: 38 -0.415182102662E+03 -0.63257E+00 -0.44518E-02 15058 0.263E-01 0.280E+00
RMM: 39 -0.415762356953E+03 -0.58025E+00 -0.45451E-02 15184 0.257E-01 0.195E+00
RMM: 40 -0.416296524803E+03 -0.53417E+00 -0.20224E-02 13485 0.171E-01 0.189E+00
RMM: 41 -0.416514574246E+03 -0.21805E+00 -0.13022E-02 12698 0.132E-01 0.191E+00
RMM: 42 -0.416576533285E+03 -0.61959E-01 -0.88300E-03 12041 0.104E-01 0.178E+00
RMM: 43 -0.416691801924E+03 -0.11527E+00 -0.90916E-03 11956 0.101E-01 0.150E+00
RMM: 44 -0.416889286408E+03 -0.19748E+00 -0.11325E-02 12369 0.105E-01 0.121E+00
RMM: 45 -0.417013743487E+03 -0.12446E+00 -0.77871E-03 11952 0.877E-02 0.104E+00
RMM: 46 -0.417098554653E+03 -0.84811E-01 -0.71982E-03 12036 0.831E-02 0.901E-01
RMM: 47 -0.417153568103E+03 -0.55013E-01 -0.54165E-03 11692 0.737E-02 0.773E-01
RMM: 48 -0.417242331816E+03 -0.88764E-01 -0.58080E-03 11828 0.744E-02 0.638E-01
RMM: 49 -0.417318041019E+03 -0.75709E-01 -0.25420E-03 10926 0.575E-02 0.569E-01
RMM: 50 -0.417340178924E+03 -0.22138E-01 -0.31216E-03 11341 0.546E-02 0.517E-01
RMM: 51 -0.417387941661E+03 -0.47763E-01 -0.38519E-03 11642 0.621E-02 0.428E-01
RMM: 52 -0.417431600827E+03 -0.43659E-01 -0.18437E-03 11053 0.386E-02 0.313E-01
RMM: 53 -0.417461741642E+03 -0.30141E-01 -0.90175E-04 10889 0.269E-02 0.211E-01
RMM: 54 -0.417481590248E+03 -0.19849E-01 -0.39604E-04 10653 0.193E-02 0.197E-01
RMM: 55 -0.417510702355E+03 -0.29112E-01 -0.31713E-04 10969 0.168E-02 0.213E-01
RMM: 56 -0.417536637027E+03 -0.25935E-01 -0.48891E-04 11552 0.243E-02 0.230E-01
RMM: 57 -0.417569212129E+03 -0.32575E-01 -0.51054E-04 11524 0.233E-02 0.116E-01
RMM: 58 -0.417584745689E+03 -0.15534E-01 -0.31123E-04 11194 0.172E-02 0.597E-02
RMM: 59 -0.417589562497E+03 -0.48168E-02 -0.85584E-05 9706 0.987E-03 0.409E-02
RMM: 60 -0.417602335248E+03 -0.12773E-01 -0.23148E-04 10755 0.126E-02 0.358E-02
RMM: 61 -0.417606914016E+03 -0.45788E-02 -0.94340E-05 9268 0.858E-03 0.332E-02
RMM: 62 -0.417607976747E+03 -0.10627E-02 -0.39075E-05 8124 0.585E-03 0.200E-02
RMM: 63 -0.417608663162E+03 -0.68641E-03 -0.18393E-05 7160 0.390E-03 0.170E-02
RMM: 64 -0.417609582274E+03 -0.91911E-03 -0.20798E-05 7327 0.381E-03 0.138E-02
RMM: 65 -0.417610117576E+03 -0.53530E-03 -0.11294E-05 6867 0.283E-03 0.768E-03
RMM: 66 -0.417610366580E+03 -0.24900E-03 -0.42893E-06 6335 0.195E-03 0.101E-02
RMM: 67 -0.417610623481E+03 -0.25690E-03 -0.25588E-06 4727 0.148E-03 0.736E-03
RMM: 68 -0.417610883336E+03 -0.25985E-03 -0.34207E-06 5652 0.159E-03 0.407E-03
RMM: 69 -0.417611047031E+03 -0.16370E-03 -0.29304E-06 4754 0.133E-03 0.670E-03
RMM: 70 -0.417611080891E+03 -0.33860E-04 -0.85996E-07 3302 0.982E-04 0.585E-03
RMM: 71 -0.417611097579E+03 -0.16688E-04 -0.13520E-06 4444 0.120E-03 0.288E-03
RMM: 72 -0.417611091745E+03 0.58341E-05 -0.23938E-07 2743 0.857E-04
1 F= -.45526208E+03 E0= -.45526267E+03 d E =0.178302E-02 mag= -0.0020