iterations/neb0_image04_iter84_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 0.370524225704E+03 0.37052E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.502655073640E+01 -0.36550E+03 -0.35174E+03 842 0.195E+02
DAV: 3 -0.953800335798E+02 -0.10041E+03 -0.10008E+03 685 0.117E+02
DAV: 4 -0.997933905924E+02 -0.44134E+01 -0.44033E+01 704 0.280E+01
DAV: 5 -0.998784090749E+02 -0.85018E-01 -0.84977E-01 728 0.352E+00 0.222E+01
DAV: 6 -0.913984734701E+02 0.84799E+01 -0.29893E+01 685 0.294E+01 0.116E+01
DAV: 7 -0.905440235524E+02 0.85445E+00 -0.17378E+00 712 0.628E+00 0.479E+00
DAV: 8 -0.901451464214E+02 0.39888E+00 -0.56305E-01 712 0.425E+00 0.163E+00
DAV: 9 -0.900511876081E+02 0.93959E-01 -0.13306E-01 712 0.172E+00 0.436E-01
DAV: 10 -0.900419081337E+02 0.92795E-02 -0.57522E-02 712 0.134E+00 0.349E-01
DAV: 11 -0.900460851781E+02 -0.41770E-02 -0.13273E-02 621 0.676E-01 0.137E-01
DAV: 12 -0.900482654627E+02 -0.21803E-02 -0.46436E-03 639 0.306E-01 0.136E-01
DAV: 13 -0.900518020748E+02 -0.35366E-02 -0.20880E-03 842 0.355E-01 0.745E-02
DAV: 14 -0.900552755328E+02 -0.34735E-02 -0.12158E-03 653 0.164E-01 0.609E-02
DAV: 15 -0.900578773024E+02 -0.26018E-02 -0.39837E-04 730 0.118E-01 0.390E-02
DAV: 16 -0.900593004342E+02 -0.14231E-02 -0.51997E-04 688 0.122E-01 0.307E-02
DAV: 17 -0.900602577217E+02 -0.95729E-03 -0.20757E-04 855 0.923E-02 0.141E-02
DAV: 18 -0.900605276132E+02 -0.26989E-03 -0.35613E-05 608 0.337E-02 0.785E-03
DAV: 19 -0.900606909748E+02 -0.16336E-03 -0.29905E-05 505 0.244E-02 0.395E-03
DAV: 20 -0.900607162597E+02 -0.25285E-04 -0.25545E-06 512 0.120E-02 0.363E-03
DAV: 21 -0.900607485721E+02 -0.32312E-04 -0.57955E-06 398 0.125E-02 0.348E-03
DAV: 22 -0.900607564817E+02 -0.79096E-05 -0.16694E-06 469 0.809E-03
1 F= -.90060756E+02 E0= -.90065029E+02 d E =0.128164E-01