iterations/neb0_image02_iter112_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 0.367702810172E+03 0.36770E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.459672335190E+01 -0.36311E+03 -0.34844E+03 834 0.195E+02
DAV: 3 -0.954853363182E+02 -0.10008E+03 -0.99748E+02 672 0.116E+02
DAV: 4 -0.100168983873E+03 -0.46836E+01 -0.46724E+01 712 0.287E+01
DAV: 5 -0.100261508305E+03 -0.92524E-01 -0.92484E-01 728 0.361E+00 0.222E+01
DAV: 6 -0.916685777013E+02 0.85929E+01 -0.30827E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908452469688E+02 0.82333E+00 -0.18203E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904597110261E+02 0.38554E+00 -0.56246E-01 688 0.429E+00 0.168E+00
DAV: 9 -0.903711415776E+02 0.88569E-01 -0.13824E-01 704 0.165E+00 0.434E-01
DAV: 10 -0.903649232646E+02 0.62183E-02 -0.47646E-02 704 0.129E+00 0.324E-01
DAV: 11 -0.903684650552E+02 -0.35418E-02 -0.71470E-03 608 0.488E-01 0.153E-01
DAV: 12 -0.903718059471E+02 -0.33409E-02 -0.74835E-03 624 0.483E-01 0.131E-01
DAV: 13 -0.903746722981E+02 -0.28664E-02 -0.15363E-03 976 0.331E-01 0.820E-02
DAV: 14 -0.903776652934E+02 -0.29930E-02 -0.13394E-03 637 0.171E-01 0.563E-02
DAV: 15 -0.903800253805E+02 -0.23601E-02 -0.40418E-04 680 0.111E-01 0.424E-02
DAV: 16 -0.903814155747E+02 -0.13902E-02 -0.57918E-04 656 0.135E-01 0.302E-02
DAV: 17 -0.903822964334E+02 -0.88086E-03 -0.15154E-04 709 0.824E-02 0.194E-02
DAV: 18 -0.903824578522E+02 -0.16142E-03 -0.47945E-05 704 0.351E-02 0.994E-03
DAV: 19 -0.903826369102E+02 -0.17906E-03 -0.29123E-05 522 0.273E-02 0.313E-03
DAV: 20 -0.903826842810E+02 -0.47371E-04 -0.39924E-06 480 0.104E-02 0.403E-03
DAV: 21 -0.903827205636E+02 -0.36283E-04 -0.50275E-06 434 0.135E-02 0.418E-03
DAV: 22 -0.903827383913E+02 -0.17828E-04 -0.41418E-06 466 0.112E-02 0.279E-03
DAV: 23 -0.903827404639E+02 -0.20726E-05 -0.25946E-06 528 0.960E-03
1 F= -.90382740E+02 E0= -.90388547E+02 d E =0.174191E-01