iterations/neb0_image05_iter35_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.370948802813E+03 0.37095E+03 -0.14304E+04 632 0.799E+02
DAV: 2 0.445900101109E+01 -0.36649E+03 -0.35526E+03 874 0.194E+02
DAV: 3 -0.931795062645E+02 -0.97639E+02 -0.97242E+02 621 0.116E+02
DAV: 4 -0.981933996945E+02 -0.50139E+01 -0.49977E+01 712 0.307E+01
DAV: 5 -0.983006058543E+02 -0.10721E+00 -0.10717E+00 704 0.401E+00 0.220E+01
DAV: 6 -0.899034448104E+02 0.83972E+01 -0.29991E+01 685 0.299E+01 0.114E+01
DAV: 7 -0.890861348354E+02 0.81731E+00 -0.16930E+00 712 0.666E+00 0.475E+00
DAV: 8 -0.887055326710E+02 0.38060E+00 -0.60232E-01 712 0.434E+00 0.165E+00
DAV: 9 -0.886158581235E+02 0.89675E-01 -0.13444E-01 720 0.181E+00 0.472E-01
DAV: 10 -0.886054176635E+02 0.10440E-01 -0.22808E-02 744 0.828E-01 0.303E-01
DAV: 11 -0.886068301989E+02 -0.14125E-02 -0.12305E-02 632 0.683E-01 0.153E-01
DAV: 12 -0.886088952946E+02 -0.20651E-02 -0.20686E-03 703 0.284E-01 0.116E-01
DAV: 13 -0.886130650877E+02 -0.41698E-02 -0.32652E-03 618 0.334E-01 0.891E-02
DAV: 14 -0.886163170190E+02 -0.32519E-02 -0.59207E-04 664 0.179E-01 0.483E-02
DAV: 15 -0.886192563160E+02 -0.29393E-02 -0.10375E-03 642 0.161E-01 0.420E-02
DAV: 16 -0.886209969125E+02 -0.17406E-02 -0.24405E-04 685 0.107E-01 0.199E-02
DAV: 17 -0.886219606849E+02 -0.96377E-03 -0.17885E-04 722 0.749E-02 0.173E-02
DAV: 18 -0.886224971369E+02 -0.53645E-03 -0.71481E-05 658 0.499E-02 0.997E-03
DAV: 19 -0.886227268845E+02 -0.22975E-03 -0.29317E-05 562 0.305E-02 0.455E-03
DAV: 20 -0.886228396616E+02 -0.11278E-03 -0.14046E-05 442 0.191E-02 0.368E-03
DAV: 21 -0.886228719035E+02 -0.32242E-04 -0.40112E-06 488 0.105E-02 0.226E-03
DAV: 22 -0.886228887518E+02 -0.16848E-04 -0.32759E-06 440 0.951E-03 0.198E-03
DAV: 23 -0.886228985737E+02 -0.98219E-05 -0.17379E-06 439 0.750E-03
1 F= -.88622899E+02 E0= -.88631512E+02 d E =0.258407E-01