iterations/neb0_image07_iter47_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 0.374106508011E+03 0.37411E+03 -0.14310E+04 632 0.799E+02
DAV: 2 0.381355545327E+01 -0.37029E+03 -0.35737E+03 861 0.195E+02
DAV: 3 -0.962949665096E+02 -0.10011E+03 -0.99770E+02 672 0.117E+02
DAV: 4 -0.100726848078E+03 -0.44319E+01 -0.44211E+01 712 0.282E+01
DAV: 5 -0.100814794698E+03 -0.87947E-01 -0.87912E-01 728 0.356E+00 0.226E+01
DAV: 6 -0.922179209156E+02 0.85969E+01 -0.30564E+01 677 0.302E+01 0.118E+01
DAV: 7 -0.913517653478E+02 0.86616E+00 -0.16708E+00 728 0.618E+00 0.482E+00
DAV: 8 -0.909679263947E+02 0.38384E+00 -0.56814E-01 696 0.415E+00 0.164E+00
DAV: 9 -0.908820860807E+02 0.85840E-01 -0.13042E-01 720 0.159E+00 0.433E-01
DAV: 10 -0.908717447319E+02 0.10341E-01 -0.45641E-02 728 0.108E+00 0.308E-01
DAV: 11 -0.908766947894E+02 -0.49501E-02 -0.14517E-02 610 0.657E-01 0.174E-01
DAV: 12 -0.908785821992E+02 -0.18874E-02 -0.22822E-03 648 0.240E-01 0.131E-01
DAV: 13 -0.908831115546E+02 -0.45294E-02 -0.40362E-03 633 0.362E-01 0.703E-02
DAV: 14 -0.908847489775E+02 -0.16374E-02 -0.47306E-04 704 0.153E-01 0.425E-02
DAV: 15 -0.908882051789E+02 -0.34562E-02 -0.78088E-04 625 0.152E-01 0.317E-02
DAV: 16 -0.908889398202E+02 -0.73464E-03 -0.73659E-05 688 0.591E-02 0.225E-02
DAV: 17 -0.908896970301E+02 -0.75721E-03 -0.13909E-04 671 0.723E-02 0.985E-03
DAV: 18 -0.908902362793E+02 -0.53925E-03 -0.56885E-05 642 0.322E-02 0.110E-02
DAV: 19 -0.908903396743E+02 -0.10340E-03 -0.67215E-06 504 0.135E-02 0.771E-03
DAV: 20 -0.908904098669E+02 -0.70193E-04 -0.21476E-05 467 0.264E-02 0.388E-03
DAV: 21 -0.908904165817E+02 -0.67147E-05 -0.25488E-06 536 0.990E-03
1 F= -.90890417E+02 E0= -.90896306E+02 d E =0.176680E-01