iterations/neb0_image05_iter129_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 0.371748859893E+03 0.37175E+03 -0.14302E+04 632 0.799E+02
DAV: 2 0.477958365815E+01 -0.36697E+03 -0.35433E+03 863 0.194E+02
DAV: 3 -0.941723505659E+02 -0.98952E+02 -0.98562E+02 640 0.116E+02
DAV: 4 -0.989921908660E+02 -0.48198E+01 -0.48066E+01 728 0.303E+01
DAV: 5 -0.990935464226E+02 -0.10136E+00 -0.10131E+00 728 0.391E+00 0.220E+01
DAV: 6 -0.906469377845E+02 0.84466E+01 -0.29248E+01 669 0.292E+01 0.113E+01
DAV: 7 -0.897756356575E+02 0.87130E+00 -0.17845E+00 728 0.662E+00 0.471E+00
DAV: 8 -0.893852231052E+02 0.39041E+00 -0.59026E-01 720 0.438E+00 0.162E+00
DAV: 9 -0.892966203271E+02 0.88603E-01 -0.13779E-01 728 0.167E+00 0.443E-01
DAV: 10 -0.892864949203E+02 0.10125E-01 -0.33343E-02 781 0.976E-01 0.297E-01
DAV: 11 -0.892886138937E+02 -0.21190E-02 -0.68560E-03 640 0.431E-01 0.141E-01
DAV: 12 -0.892899889234E+02 -0.13750E-02 -0.10352E-03 712 0.228E-01 0.995E-02
DAV: 13 -0.892946013321E+02 -0.46124E-02 -0.22980E-03 617 0.283E-01 0.792E-02
DAV: 14 -0.892977798022E+02 -0.31785E-02 -0.50032E-04 744 0.136E-01 0.427E-02
DAV: 15 -0.893006588179E+02 -0.28790E-02 -0.66706E-04 623 0.140E-01 0.334E-02
DAV: 16 -0.893019559024E+02 -0.12971E-02 -0.11503E-04 797 0.771E-02 0.196E-02
DAV: 17 -0.893035790463E+02 -0.16231E-02 -0.28882E-04 628 0.898E-02 0.198E-02
DAV: 18 -0.893039613546E+02 -0.38231E-03 -0.33039E-05 565 0.442E-02 0.116E-02
DAV: 19 -0.893041828254E+02 -0.22147E-03 -0.75537E-05 628 0.483E-02 0.889E-03
DAV: 20 -0.893042578550E+02 -0.75030E-04 -0.78241E-06 504 0.269E-02 0.348E-03
DAV: 21 -0.893043277527E+02 -0.69898E-04 -0.21946E-05 467 0.229E-02 0.514E-03
DAV: 22 -0.893043384186E+02 -0.10666E-04 -0.17635E-06 501 0.103E-02 0.352E-03
DAV: 23 -0.893043441114E+02 -0.56929E-05 -0.44810E-06 418 0.147E-02
1 F= -.89304344E+02 E0= -.89312620E+02 d E =0.248289E-01