./iterations/neb0_image07_iter96_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 0.376553778416E+03 0.37655E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.334915148632E+01 -0.37320E+03 -0.36125E+03 877 0.196E+02
DAV: 3 -0.963624675976E+02 -0.99712E+02 -0.99380E+02 664 0.117E+02
DAV: 4 -0.100886584698E+03 -0.45241E+01 -0.45134E+01 696 0.287E+01
DAV: 5 -0.100977318479E+03 -0.90734E-01 -0.90696E-01 728 0.365E+00 0.226E+01
DAV: 6 -0.923782297037E+02 0.85991E+01 -0.30726E+01 709 0.303E+01 0.118E+01
DAV: 7 -0.915196350195E+02 0.85859E+00 -0.16642E+00 736 0.614E+00 0.481E+00
DAV: 8 -0.911393892851E+02 0.38025E+00 -0.56011E-01 704 0.404E+00 0.162E+00
DAV: 9 -0.910556284164E+02 0.83761E-01 -0.13168E-01 728 0.155E+00 0.425E-01
DAV: 10 -0.910462945019E+02 0.93339E-02 -0.47032E-02 728 0.111E+00 0.307E-01
DAV: 11 -0.910508105201E+02 -0.45160E-02 -0.11789E-02 616 0.568E-01 0.135E-01
DAV: 12 -0.910540985375E+02 -0.32880E-02 -0.37464E-03 616 0.284E-01 0.148E-01
DAV: 13 -0.910577522723E+02 -0.36537E-02 -0.27831E-03 760 0.329E-01 0.562E-02
DAV: 14 -0.910602904824E+02 -0.25382E-02 -0.62202E-04 653 0.117E-01 0.595E-02
DAV: 15 -0.910628846282E+02 -0.25941E-02 -0.32882E-04 653 0.892E-02 0.328E-02
DAV: 16 -0.910639164915E+02 -0.10319E-02 -0.36372E-04 680 0.946E-02 0.281E-02
DAV: 17 -0.910644797330E+02 -0.56324E-03 -0.11937E-04 637 0.675E-02 0.104E-02
DAV: 18 -0.910646239273E+02 -0.14419E-03 -0.21766E-05 544 0.256E-02 0.673E-03
DAV: 19 -0.910647112274E+02 -0.87300E-04 -0.19203E-05 485 0.247E-02 0.345E-03
DAV: 20 -0.910647384436E+02 -0.27216E-04 -0.43242E-06 512 0.112E-02 0.332E-03
DAV: 21 -0.910647508679E+02 -0.12424E-04 -0.22866E-06 410 0.914E-03 0.164E-03
DAV: 22 -0.910647595400E+02 -0.86721E-05 -0.17236E-06 417 0.648E-03
1 F= -.91064760E+02 E0= -.91069400E+02 d E =0.139211E-01