iterations/neb0_image07_iter74_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 0.378426699475E+03 0.37843E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.440017559890E+01 -0.37403E+03 -0.36083E+03 869 0.196E+02
DAV: 3 -0.964072567252E+02 -0.10081E+03 -0.10048E+03 672 0.117E+02
DAV: 4 -0.100897209745E+03 -0.44900E+01 -0.44794E+01 704 0.285E+01
DAV: 5 -0.100985467795E+03 -0.88258E-01 -0.88221E-01 728 0.359E+00 0.228E+01
DAV: 6 -0.923449389018E+02 0.86405E+01 -0.30698E+01 698 0.303E+01 0.119E+01
DAV: 7 -0.914668746823E+02 0.87806E+00 -0.16647E+00 736 0.613E+00 0.482E+00
DAV: 8 -0.910832223944E+02 0.38365E+00 -0.55387E-01 696 0.404E+00 0.163E+00
DAV: 9 -0.909987286169E+02 0.84494E-01 -0.13383E-01 712 0.156E+00 0.426E-01
DAV: 10 -0.909891779903E+02 0.95506E-02 -0.49494E-02 720 0.115E+00 0.315E-01
DAV: 11 -0.909936618428E+02 -0.44839E-02 -0.12962E-02 616 0.608E-01 0.139E-01
DAV: 12 -0.909967924341E+02 -0.31306E-02 -0.38538E-03 624 0.288E-01 0.154E-01
DAV: 13 -0.910004683527E+02 -0.36759E-02 -0.32480E-03 725 0.351E-01 0.585E-02
DAV: 14 -0.910028735613E+02 -0.24052E-02 -0.59100E-04 664 0.118E-01 0.598E-02
DAV: 15 -0.910056675829E+02 -0.27940E-02 -0.34811E-04 639 0.875E-02 0.366E-02
DAV: 16 -0.910069179655E+02 -0.12504E-02 -0.51242E-04 669 0.114E-01 0.335E-02
DAV: 17 -0.910074456031E+02 -0.52764E-03 -0.13978E-04 664 0.692E-02 0.109E-02
DAV: 18 -0.910076308152E+02 -0.18521E-03 -0.29745E-05 589 0.254E-02 0.599E-03
DAV: 19 -0.910076873140E+02 -0.56499E-04 -0.56413E-06 472 0.142E-02 0.191E-03
DAV: 20 -0.910077327095E+02 -0.45396E-04 -0.52983E-06 414 0.938E-03 0.226E-03
DAV: 21 -0.910077436762E+02 -0.10967E-04 -0.11912E-06 496 0.537E-03 0.165E-03
DAV: 22 -0.910077492799E+02 -0.56037E-05 -0.19075E-06 383 0.845E-03
1 F= -.91007749E+02 E0= -.91012934E+02 d E =0.155553E-01