./iterations/neb0_image06_iter198_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 0.370510494091E+03 0.37051E+03 -0.14344E+04 640 0.799E+02
DAV: 2 0.442688464965E+01 -0.36608E+03 -0.35396E+03 858 0.193E+02
DAV: 3 -0.956140206421E+02 -0.10004E+03 -0.99707E+02 664 0.116E+02
DAV: 4 -0.100391932854E+03 -0.47779E+01 -0.47635E+01 720 0.289E+01
DAV: 5 -0.100490919116E+03 -0.98986E-01 -0.98925E-01 736 0.370E+00 0.225E+01
DAV: 6 -0.919133164928E+02 0.85776E+01 -0.30659E+01 701 0.303E+01 0.118E+01
DAV: 7 -0.910949217143E+02 0.81839E+00 -0.17718E+00 704 0.629E+00 0.480E+00
DAV: 8 -0.907193527880E+02 0.37557E+00 -0.53975E-01 712 0.409E+00 0.167E+00
DAV: 9 -0.906275200488E+02 0.91833E-01 -0.13071E-01 696 0.159E+00 0.423E-01
DAV: 10 -0.906170475527E+02 0.10472E-01 -0.38597E-02 744 0.972E-01 0.288E-01
DAV: 11 -0.906213640891E+02 -0.43165E-02 -0.10068E-02 599 0.524E-01 0.150E-01
DAV: 12 -0.906238798160E+02 -0.25157E-02 -0.22465E-03 634 0.260E-01 0.863E-02
DAV: 13 -0.906281624365E+02 -0.42826E-02 -0.18256E-03 642 0.207E-01 0.657E-02
DAV: 14 -0.906306552069E+02 -0.24928E-02 -0.57950E-04 832 0.184E-01 0.301E-02
DAV: 15 -0.906333283421E+02 -0.26731E-02 -0.44441E-04 623 0.101E-01 0.367E-02
DAV: 16 -0.906345644111E+02 -0.12361E-02 -0.14807E-04 685 0.763E-02 0.186E-02
DAV: 17 -0.906354071973E+02 -0.84279E-03 -0.20965E-04 634 0.750E-02 0.186E-02
DAV: 18 -0.906356541956E+02 -0.24700E-03 -0.41597E-05 645 0.421E-02 0.809E-03
DAV: 19 -0.906357104570E+02 -0.56261E-04 -0.16831E-05 536 0.246E-02 0.437E-03
DAV: 20 -0.906357600826E+02 -0.49626E-04 -0.74762E-06 403 0.157E-02 0.308E-03
DAV: 21 -0.906357841220E+02 -0.24039E-04 -0.31098E-06 458 0.100E-02 0.237E-03
DAV: 22 -0.906357901692E+02 -0.60472E-05 -0.14354E-06 480 0.764E-03
1 F= -.90635790E+02 E0= -.90641090E+02 d E =0.158993E-01