iterations/neb0_image08_iter92_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 0.375142101261E+03 0.37514E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.357819883196E+01 -0.37156E+03 -0.35834E+03 869 0.196E+02
DAV: 3 -0.966843009307E+02 -0.10026E+03 -0.99920E+02 688 0.117E+02
DAV: 4 -0.101079420042E+03 -0.43951E+01 -0.43850E+01 688 0.276E+01
DAV: 5 -0.101167279210E+03 -0.87859E-01 -0.87819E-01 736 0.348E+00 0.226E+01
DAV: 6 -0.925811546921E+02 0.85861E+01 -0.30754E+01 693 0.301E+01 0.118E+01
DAV: 7 -0.917236566614E+02 0.85750E+00 -0.16781E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.913448537062E+02 0.37880E+00 -0.56098E-01 704 0.404E+00 0.162E+00
DAV: 9 -0.912625868992E+02 0.82267E-01 -0.12856E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.912532697711E+02 0.93171E-02 -0.46564E-02 720 0.112E+00 0.306E-01
DAV: 11 -0.912579436123E+02 -0.46738E-02 -0.13533E-02 624 0.597E-01 0.154E-01
DAV: 12 -0.912609262655E+02 -0.29827E-02 -0.31762E-03 609 0.253E-01 0.124E-01
DAV: 13 -0.912645081855E+02 -0.35819E-02 -0.15983E-03 736 0.233E-01 0.451E-02
DAV: 14 -0.912675933921E+02 -0.30852E-02 -0.60402E-04 645 0.124E-01 0.409E-02
DAV: 15 -0.912696151186E+02 -0.20217E-02 -0.19316E-04 653 0.764E-02 0.411E-02
DAV: 16 -0.912707663798E+02 -0.11513E-02 -0.39339E-04 666 0.992E-02 0.217E-02
DAV: 17 -0.912710982066E+02 -0.33183E-03 -0.68409E-05 696 0.586E-02 0.142E-02
DAV: 18 -0.912713660274E+02 -0.26782E-03 -0.51951E-05 626 0.327E-02 0.132E-02
DAV: 19 -0.912714232705E+02 -0.57243E-04 -0.73915E-06 488 0.194E-02 0.691E-03
DAV: 20 -0.912714598465E+02 -0.36576E-04 -0.17792E-05 418 0.265E-02 0.399E-03
DAV: 21 -0.912714782278E+02 -0.18381E-04 -0.34914E-06 464 0.100E-02 0.356E-03
DAV: 22 -0.912714895592E+02 -0.11331E-04 -0.20676E-06 409 0.867E-03 0.174E-03
DAV: 23 -0.912714925743E+02 -0.30150E-05 -0.13487E-06 472 0.623E-03
1 F= -.91271493E+02 E0= -.91276537E+02 d E =0.151324E-01