iterations/neb0_image08_iter95_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 0.375186990280E+03 0.37519E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.351930278832E+01 -0.37167E+03 -0.35850E+03 869 0.196E+02
DAV: 3 -0.967199806044E+02 -0.10024E+03 -0.99897E+02 688 0.117E+02
DAV: 4 -0.101108395043E+03 -0.43884E+01 -0.43781E+01 696 0.275E+01
DAV: 5 -0.101195694501E+03 -0.87299E-01 -0.87262E-01 736 0.347E+00 0.226E+01
DAV: 6 -0.925939214616E+02 0.86018E+01 -0.30766E+01 693 0.301E+01 0.119E+01
DAV: 7 -0.917293205055E+02 0.86460E+00 -0.16795E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.913496234230E+02 0.37970E+00 -0.56175E-01 704 0.404E+00 0.162E+00
DAV: 9 -0.912675292957E+02 0.82094E-01 -0.12921E-01 712 0.156E+00 0.426E-01
DAV: 10 -0.912582523179E+02 0.92770E-02 -0.46359E-02 728 0.112E+00 0.306E-01
DAV: 11 -0.912629030003E+02 -0.46507E-02 -0.13604E-02 624 0.602E-01 0.155E-01
DAV: 12 -0.912657605275E+02 -0.28575E-02 -0.29627E-03 615 0.250E-01 0.118E-01
DAV: 13 -0.912693671770E+02 -0.36066E-02 -0.15229E-03 677 0.220E-01 0.467E-02
DAV: 14 -0.912725277625E+02 -0.31606E-02 -0.67331E-04 664 0.144E-01 0.361E-02
DAV: 15 -0.912743176552E+02 -0.17899E-02 -0.18349E-04 680 0.770E-02 0.405E-02
DAV: 16 -0.912756123987E+02 -0.12947E-02 -0.36456E-04 669 0.970E-02 0.175E-02
DAV: 17 -0.912760234202E+02 -0.41102E-03 -0.59451E-05 664 0.533E-02 0.147E-02
DAV: 18 -0.912762660561E+02 -0.24264E-03 -0.42461E-05 586 0.318E-02 0.117E-02
DAV: 19 -0.912763636035E+02 -0.97547E-04 -0.11676E-05 456 0.201E-02 0.548E-03
DAV: 20 -0.912763937019E+02 -0.30098E-04 -0.96415E-06 480 0.194E-02 0.185E-03
DAV: 21 -0.912764221733E+02 -0.28471E-04 -0.50211E-06 404 0.104E-02 0.301E-03
DAV: 22 -0.912764259744E+02 -0.38011E-05 -0.78475E-07 496 0.471E-03
1 F= -.91276426E+02 E0= -.91281321E+02 d E =0.146856E-01