iterations/neb0_image04_iter90_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 0.370602110753E+03 0.37060E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.441220837234E+01 -0.36619E+03 -0.35338E+03 850 0.195E+02
DAV: 3 -0.955236406230E+02 -0.99936E+02 -0.99622E+02 693 0.116E+02
DAV: 4 -0.998256734817E+02 -0.43020E+01 -0.42918E+01 712 0.274E+01
DAV: 5 -0.999077454579E+02 -0.82072E-01 -0.82039E-01 720 0.342E+00 0.222E+01
DAV: 6 -0.914080994733E+02 0.84996E+01 -0.29999E+01 674 0.295E+01 0.116E+01
DAV: 7 -0.905585257206E+02 0.84957E+00 -0.17528E+00 712 0.628E+00 0.479E+00
DAV: 8 -0.901606090164E+02 0.39792E+00 -0.55714E-01 728 0.422E+00 0.165E+00
DAV: 9 -0.900652582351E+02 0.95351E-01 -0.13487E-01 712 0.176E+00 0.438E-01
DAV: 10 -0.900557888823E+02 0.94694E-02 -0.56688E-02 712 0.134E+00 0.349E-01
DAV: 11 -0.900600473089E+02 -0.42584E-02 -0.14471E-02 613 0.712E-01 0.144E-01
DAV: 12 -0.900617263741E+02 -0.16791E-02 -0.44580E-03 664 0.306E-01 0.138E-01
DAV: 13 -0.900655132435E+02 -0.37869E-02 -0.28914E-03 842 0.398E-01 0.769E-02
DAV: 14 -0.900689536517E+02 -0.34404E-02 -0.12122E-03 653 0.165E-01 0.663E-02
DAV: 15 -0.900712762498E+02 -0.23226E-02 -0.40591E-04 733 0.130E-01 0.336E-02
DAV: 16 -0.900729047323E+02 -0.16285E-02 -0.45025E-04 680 0.113E-01 0.293E-02
DAV: 17 -0.900739264366E+02 -0.10217E-02 -0.13130E-04 671 0.652E-02 0.189E-02
DAV: 18 -0.900742480931E+02 -0.32166E-03 -0.74934E-05 664 0.426E-02 0.948E-03
DAV: 19 -0.900743902470E+02 -0.14215E-03 -0.14255E-05 463 0.228E-02 0.379E-03
DAV: 20 -0.900744439103E+02 -0.53663E-04 -0.10045E-05 450 0.145E-02 0.382E-03
DAV: 21 -0.900744691675E+02 -0.25257E-04 -0.33926E-06 450 0.837E-03 0.153E-03
DAV: 22 -0.900744752187E+02 -0.60512E-05 -0.21076E-06 480 0.719E-03
1 F= -.90074475E+02 E0= -.90078574E+02 d E =0.122964E-01