iterations/neb0_image06_iter119_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 0.375620828396E+03 0.37562E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.382740169917E+01 -0.37179E+03 -0.35984E+03 882 0.195E+02
DAV: 3 -0.955605231294E+02 -0.99388E+02 -0.99062E+02 648 0.116E+02
DAV: 4 -0.100316602923E+03 -0.47561E+01 -0.47434E+01 696 0.294E+01
DAV: 5 -0.100414570564E+03 -0.97968E-01 -0.97921E-01 736 0.377E+00 0.226E+01
DAV: 6 -0.918257907372E+02 0.85888E+01 -0.30764E+01 698 0.305E+01 0.118E+01
DAV: 7 -0.910097595742E+02 0.81603E+00 -0.17505E+00 720 0.631E+00 0.480E+00
DAV: 8 -0.906321999766E+02 0.37756E+00 -0.49419E-01 728 0.398E+00 0.169E+00
DAV: 9 -0.905398856508E+02 0.92314E-01 -0.13963E-01 717 0.175E+00 0.419E-01
DAV: 10 -0.905310277738E+02 0.88579E-02 -0.40516E-02 800 0.107E+00 0.299E-01
DAV: 11 -0.905352152707E+02 -0.41875E-02 -0.14401E-02 602 0.683E-01 0.173E-01
DAV: 12 -0.905363523034E+02 -0.11370E-02 -0.19540E-03 674 0.295E-01 0.121E-01
DAV: 13 -0.905414775534E+02 -0.51252E-02 -0.66093E-03 694 0.600E-01 0.102E-01
DAV: 14 -0.905424769477E+02 -0.99939E-03 -0.14977E-03 720 0.230E-01 0.803E-02
DAV: 15 -0.905441775881E+02 -0.17006E-02 -0.70444E-04 618 0.144E-01 0.317E-02
DAV: 16 -0.905470667274E+02 -0.28891E-02 -0.62299E-04 639 0.129E-01 0.486E-02
DAV: 17 -0.905478892868E+02 -0.82256E-03 -0.15234E-04 925 0.119E-01 0.259E-02
DAV: 18 -0.905484941425E+02 -0.60486E-03 -0.24688E-04 637 0.109E-01 0.132E-02
DAV: 19 -0.905487634820E+02 -0.26934E-03 -0.58232E-05 669 0.461E-02 0.128E-02
DAV: 20 -0.905488593222E+02 -0.95840E-04 -0.11125E-05 429 0.206E-02 0.503E-03
DAV: 21 -0.905489039808E+02 -0.44659E-04 -0.28234E-05 500 0.256E-02 0.106E-02
DAV: 22 -0.905489107195E+02 -0.67387E-05 -0.11972E-05 568 0.364E-02
1 F= -.90548911E+02 E0= -.90554394E+02 d E =0.164505E-01