iterations/neb0_image08_iter44_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.143597966465E+04 0.14360E+04 -0.44149E+04 330 0.697E+02
DAV: 2 0.231845129863E+03 -0.12041E+04 -0.11293E+04 417 0.162E+02
DAV: 3 -0.354234076480E+03 -0.58608E+03 -0.58200E+03 363 0.113E+02
DAV: 4 -0.424378339445E+03 -0.70144E+02 -0.69796E+02 309 0.491E+01
DAV: 5 -0.426029584292E+03 -0.16512E+01 -0.16466E+01 327 0.777E+00 0.419E+01
DAV: 6 -0.381934710466E+03 0.44095E+02 -0.14547E+02 309 0.284E+01 0.205E+01
DAV: 7 -0.378658625570E+03 0.32761E+01 -0.11689E+01 336 0.782E+00 0.102E+01
DAV: 8 -0.377258135409E+03 0.14005E+01 -0.17938E+00 327 0.370E+00 0.413E+00
DAV: 9 -0.376716849022E+03 0.54129E+00 -0.58254E-01 327 0.190E+00 0.906E-01
DAV: 10 -0.376666279694E+03 0.50569E-01 -0.86225E-02 336 0.872E-01 0.634E-01
DAV: 11 -0.376635090074E+03 0.31190E-01 -0.26198E-02 327 0.443E-01 0.379E-01
DAV: 12 -0.376616278438E+03 0.18812E-01 -0.14189E-02 336 0.396E-01 0.204E-01
DAV: 13 -0.376612355805E+03 0.39226E-02 -0.13528E-02 309 0.390E-01 0.176E-01
DAV: 14 -0.376617721326E+03 -0.53655E-02 -0.82662E-03 336 0.285E-01 0.155E-01
DAV: 15 -0.376623568821E+03 -0.58475E-02 -0.33328E-03 354 0.213E-01 0.114E-01
DAV: 16 -0.376631558682E+03 -0.79899E-02 -0.34437E-03 291 0.257E-01 0.686E-02
DAV: 17 -0.376639877806E+03 -0.83191E-02 -0.38284E-03 318 0.210E-01 0.605E-02
DAV: 18 -0.376644542814E+03 -0.46650E-02 -0.10752E-03 318 0.864E-02 0.570E-02
DAV: 19 -0.376648175595E+03 -0.36328E-02 -0.27608E-04 309 0.420E-02 0.328E-02
DAV: 20 -0.376653449615E+03 -0.52740E-02 -0.39250E-04 318 0.564E-02 0.266E-02
DAV: 21 -0.376655834065E+03 -0.23845E-02 -0.19175E-04 309 0.384E-02 0.188E-02
DAV: 22 -0.376657316519E+03 -0.14825E-02 -0.90492E-05 318 0.243E-02 0.998E-03
DAV: 23 -0.376658089953E+03 -0.77343E-03 -0.23337E-05 246 0.127E-02 0.729E-03
DAV: 24 -0.376658854911E+03 -0.76496E-03 -0.32430E-05 255 0.150E-02 0.433E-03
DAV: 25 -0.376659179928E+03 -0.32502E-03 -0.20124E-05 264 0.104E-02 0.573E-03
DAV: 26 -0.376659279066E+03 -0.99138E-04 -0.36693E-06 228 0.601E-03 0.341E-03
DAV: 27 -0.376659427138E+03 -0.14807E-03 -0.65906E-06 210 0.641E-03 0.132E-03
DAV: 28 -0.376659458720E+03 -0.31583E-04 -0.21057E-06 228 0.357E-03 0.141E-03
DAV: 29 -0.376659499957E+03 -0.41237E-04 -0.16234E-06 210 0.272E-03 0.113E-03
DAV: 30 -0.376659519474E+03 -0.19516E-04 -0.97330E-07 219 0.188E-03 0.911E-04
DAV: 31 -0.376659526152E+03 -0.66780E-05 -0.41850E-07 228 0.145E-03
1 F= -.37665953E+03 E0= -.37666341E+03 d E =0.116381E-01