./iterations/neb0_image03_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 0.364387009723E+03 0.36439E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.171654935578E+00 -0.36422E+03 -0.35413E+03 858 0.195E+02
DAV: 3 -0.961247302017E+02 -0.96296E+02 -0.95985E+02 680 0.115E+02
DAV: 4 -0.100266504014E+03 -0.41418E+01 -0.41305E+01 720 0.270E+01
DAV: 5 -0.100348001880E+03 -0.81498E-01 -0.81462E-01 736 0.339E+00 0.222E+01
DAV: 6 -0.917224368577E+02 0.86256E+01 -0.30991E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908787921086E+02 0.84364E+00 -0.18020E+00 720 0.634E+00 0.484E+00
DAV: 8 -0.904820120696E+02 0.39678E+00 -0.55859E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903847858260E+02 0.97226E-01 -0.12981E-01 712 0.182E+00 0.443E-01
DAV: 10 -0.903766330990E+02 0.81527E-02 -0.51862E-02 712 0.125E+00 0.351E-01
DAV: 11 -0.903805772107E+02 -0.39441E-02 -0.12081E-02 616 0.730E-01 0.131E-01
DAV: 12 -0.903827451082E+02 -0.21679E-02 -0.56309E-03 632 0.373E-01 0.131E-01
DAV: 13 -0.903864981809E+02 -0.37531E-02 -0.35692E-03 816 0.456E-01 0.839E-02
DAV: 14 -0.903899955975E+02 -0.34974E-02 -0.13186E-03 669 0.211E-01 0.684E-02
DAV: 15 -0.903918263011E+02 -0.18307E-02 -0.30916E-04 664 0.932E-02 0.353E-02
DAV: 16 -0.903941043823E+02 -0.22781E-02 -0.61808E-04 647 0.135E-01 0.291E-02
DAV: 17 -0.903946057036E+02 -0.50132E-03 -0.57053E-05 720 0.642E-02 0.194E-02
DAV: 18 -0.903952937967E+02 -0.68809E-03 -0.28742E-04 665 0.104E-01 0.199E-02
DAV: 19 -0.903953983940E+02 -0.10460E-03 -0.37551E-05 704 0.470E-02 0.995E-03
DAV: 20 -0.903954881367E+02 -0.89743E-04 -0.31095E-05 570 0.286E-02 0.291E-03
DAV: 21 -0.903955534062E+02 -0.65269E-04 -0.76828E-06 437 0.128E-02 0.370E-03
DAV: 22 -0.903955757872E+02 -0.22381E-04 -0.39837E-06 482 0.806E-03 0.393E-03
DAV: 23 -0.903955825488E+02 -0.67615E-05 -0.36589E-06 448 0.158E-02
1 F= -.90395583E+02 E0= -.90401432E+02 d E =0.175471E-01