./iterations/neb0_image06_iter296_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 0.375625708692E+03 0.37563E+03 -0.14333E+04 632 0.799E+02
DAV: 2 0.480258470273E+01 -0.37082E+03 -0.35883E+03 874 0.195E+02
DAV: 3 -0.943553535524E+02 -0.99158E+02 -0.98761E+02 656 0.116E+02
DAV: 4 -0.989554269587E+02 -0.46001E+01 -0.45812E+01 720 0.290E+01
DAV: 5 -0.990487190659E+02 -0.93292E-01 -0.93237E-01 720 0.374E+00 0.222E+01
DAV: 6 -0.906832969449E+02 0.83654E+01 -0.29722E+01 701 0.303E+01 0.116E+01
DAV: 7 -0.898660611444E+02 0.81724E+00 -0.17225E+00 720 0.643E+00 0.481E+00
DAV: 8 -0.894705640702E+02 0.39550E+00 -0.57862E-01 720 0.423E+00 0.161E+00
DAV: 9 -0.893762667895E+02 0.94297E-01 -0.13042E-01 712 0.166E+00 0.443E-01
DAV: 10 -0.893652478145E+02 0.11019E-01 -0.35505E-02 704 0.946E-01 0.297E-01
DAV: 11 -0.893682100780E+02 -0.29623E-02 -0.10887E-02 608 0.583E-01 0.167E-01
DAV: 12 -0.893698295543E+02 -0.16195E-02 -0.33310E-03 736 0.389E-01 0.993E-02
DAV: 13 -0.893744316821E+02 -0.46021E-02 -0.34836E-03 631 0.304E-01 0.103E-01
DAV: 14 -0.893770461245E+02 -0.26144E-02 -0.12317E-03 808 0.259E-01 0.333E-02
DAV: 15 -0.893800848009E+02 -0.30387E-02 -0.55329E-04 628 0.120E-01 0.380E-02
DAV: 16 -0.893821856254E+02 -0.21008E-02 -0.20203E-04 693 0.762E-02 0.209E-02
DAV: 17 -0.893834525609E+02 -0.12669E-02 -0.27013E-04 655 0.839E-02 0.196E-02
DAV: 18 -0.893837374316E+02 -0.28487E-03 -0.26418E-05 576 0.379E-02 0.109E-02
DAV: 19 -0.893839027379E+02 -0.16531E-03 -0.43845E-05 562 0.344E-02 0.391E-03
DAV: 20 -0.893839488164E+02 -0.46078E-04 -0.36349E-06 488 0.103E-02 0.366E-03
DAV: 21 -0.893839766058E+02 -0.27789E-04 -0.32145E-06 413 0.859E-03 0.247E-03
DAV: 22 -0.893839884801E+02 -0.11874E-04 -0.26404E-06 456 0.923E-03 0.118E-03
DAV: 23 -0.893839902621E+02 -0.17820E-05 -0.75420E-07 512 0.504E-03
1 F= -.89383990E+02 E0= -.89391178E+02 d E =0.215636E-01