iterations/neb0_image06_iter129_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 0.374430142938E+03 0.37443E+03 -0.14305E+04 632 0.799E+02
DAV: 2 0.382801461357E+01 -0.37060E+03 -0.35868E+03 882 0.194E+02
DAV: 3 -0.955986640910E+02 -0.99427E+02 -0.99107E+02 664 0.116E+02
DAV: 4 -0.100289009102E+03 -0.46903E+01 -0.46771E+01 712 0.289E+01
DAV: 5 -0.100384863732E+03 -0.95855E-01 -0.95811E-01 741 0.368E+00 0.225E+01
DAV: 6 -0.918550961367E+02 0.85298E+01 -0.30759E+01 712 0.304E+01 0.117E+01
DAV: 7 -0.910549415448E+02 0.80015E+00 -0.17296E+00 720 0.628E+00 0.480E+00
DAV: 8 -0.906790756036E+02 0.37587E+00 -0.51920E-01 720 0.404E+00 0.168E+00
DAV: 9 -0.905867039458E+02 0.92372E-01 -0.13398E-01 728 0.163E+00 0.422E-01
DAV: 10 -0.905768377573E+02 0.98662E-02 -0.43081E-02 768 0.109E+00 0.297E-01
DAV: 11 -0.905811056861E+02 -0.42679E-02 -0.12019E-02 610 0.597E-01 0.160E-01
DAV: 12 -0.905831213155E+02 -0.20156E-02 -0.22362E-03 647 0.258E-01 0.113E-01
DAV: 13 -0.905875097588E+02 -0.43884E-02 -0.23171E-03 676 0.308E-01 0.543E-02
DAV: 14 -0.905897075422E+02 -0.21978E-02 -0.45224E-04 704 0.123E-01 0.387E-02
DAV: 15 -0.905926198447E+02 -0.29123E-02 -0.45939E-04 629 0.111E-01 0.335E-02
DAV: 16 -0.905936671998E+02 -0.10474E-02 -0.12378E-04 677 0.535E-02 0.176E-02
DAV: 17 -0.905946484200E+02 -0.98122E-03 -0.17259E-04 631 0.732E-02 0.171E-02
DAV: 18 -0.905948683981E+02 -0.21998E-03 -0.43922E-05 696 0.394E-02 0.159E-02
DAV: 19 -0.905949148679E+02 -0.46470E-04 -0.13039E-05 472 0.274E-02 0.987E-03
DAV: 20 -0.905950121904E+02 -0.97322E-04 -0.40315E-05 612 0.379E-02 0.699E-03
DAV: 21 -0.905950404063E+02 -0.28216E-04 -0.59286E-06 488 0.219E-02 0.324E-03
DAV: 22 -0.905950679178E+02 -0.27512E-04 -0.83695E-06 406 0.147E-02 0.253E-03
DAV: 23 -0.905950712995E+02 -0.33817E-05 -0.92768E-07 512 0.613E-03
1 F= -.90595071E+02 E0= -.90599658E+02 d E =0.137597E-01