./iterations/neb0_image07_iter181_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 0.371279158886E+03 0.37128E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.323978144866E+01 -0.36804E+03 -0.35539E+03 869 0.194E+02
DAV: 3 -0.963982416647E+02 -0.99638E+02 -0.99317E+02 672 0.116E+02
DAV: 4 -0.101057504117E+03 -0.46593E+01 -0.46473E+01 696 0.287E+01
DAV: 5 -0.101153165932E+03 -0.95662E-01 -0.95598E-01 736 0.368E+00 0.226E+01
DAV: 6 -0.925677353255E+02 0.85854E+01 -0.30503E+01 736 0.299E+01 0.119E+01
DAV: 7 -0.917137865466E+02 0.85395E+00 -0.17263E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.913427568334E+02 0.37103E+00 -0.52810E-01 728 0.395E+00 0.163E+00
DAV: 9 -0.912614068160E+02 0.81350E-01 -0.13142E-01 728 0.158E+00 0.420E-01
DAV: 10 -0.912530093187E+02 0.83975E-02 -0.42443E-02 752 0.109E+00 0.295E-01
DAV: 11 -0.912572175245E+02 -0.42082E-02 -0.11577E-02 616 0.568E-01 0.136E-01
DAV: 12 -0.912601149689E+02 -0.28974E-02 -0.25845E-03 645 0.260E-01 0.936E-02
DAV: 13 -0.912639623164E+02 -0.38473E-02 -0.13743E-03 623 0.187E-01 0.516E-02
DAV: 14 -0.912669653437E+02 -0.30030E-02 -0.62353E-04 741 0.187E-01 0.357E-02
DAV: 15 -0.912685766335E+02 -0.16113E-02 -0.31839E-04 672 0.102E-01 0.336E-02
DAV: 16 -0.912696150699E+02 -0.10384E-02 -0.17182E-04 741 0.747E-02 0.145E-02
DAV: 17 -0.912703830701E+02 -0.76800E-03 -0.90949E-05 682 0.465E-02 0.122E-02
DAV: 18 -0.912706492212E+02 -0.26615E-03 -0.29780E-05 608 0.338E-02 0.713E-03
DAV: 19 -0.912707709819E+02 -0.12176E-03 -0.14995E-05 431 0.190E-02 0.388E-03
DAV: 20 -0.912707852248E+02 -0.14243E-04 -0.42078E-06 528 0.122E-02 0.192E-03
DAV: 21 -0.912708145268E+02 -0.29302E-04 -0.40588E-06 398 0.940E-03 0.120E-03
DAV: 22 -0.912708201759E+02 -0.56491E-05 -0.11154E-06 480 0.408E-03
1 F= -.91270820E+02 E0= -.91276454E+02 d E =0.169005E-01