iterations/neb0_image04_iter257_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 0.366838919432E+03 0.36684E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.864269066899E+00 -0.36597E+03 -0.35478E+03 855 0.195E+02
DAV: 3 -0.960672074800E+02 -0.96931E+02 -0.96640E+02 664 0.116E+02
DAV: 4 -0.100326216888E+03 -0.42590E+01 -0.42496E+01 696 0.277E+01
DAV: 5 -0.100409598318E+03 -0.83381E-01 -0.83353E-01 736 0.345E+00 0.223E+01
DAV: 6 -0.916911095614E+02 0.87185E+01 -0.31248E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908357538080E+02 0.85536E+00 -0.18211E+00 712 0.658E+00 0.485E+00
DAV: 8 -0.904260676189E+02 0.40969E+00 -0.54656E-01 704 0.457E+00 0.180E+00
DAV: 9 -0.903348787401E+02 0.91189E-01 -0.15185E-01 720 0.219E+00 0.596E-01
DAV: 10 -0.903188322290E+02 0.16047E-01 -0.40111E-02 712 0.105E+00 0.358E-01
DAV: 11 -0.903206532721E+02 -0.18210E-02 -0.14408E-02 712 0.622E-01 0.250E-01
DAV: 12 -0.903232748018E+02 -0.26215E-02 -0.30434E-03 688 0.489E-01 0.140E-01
DAV: 13 -0.903266787242E+02 -0.34039E-02 -0.31786E-03 626 0.375E-01 0.116E-01
DAV: 14 -0.903298603233E+02 -0.31816E-02 -0.17189E-03 698 0.275E-01 0.489E-02
DAV: 15 -0.903326785163E+02 -0.28182E-02 -0.82066E-04 648 0.135E-01 0.496E-02
DAV: 16 -0.903346098582E+02 -0.19313E-02 -0.42665E-04 800 0.159E-01 0.273E-02
DAV: 17 -0.903360697702E+02 -0.14599E-02 -0.31578E-04 646 0.857E-02 0.357E-02
DAV: 18 -0.903365633833E+02 -0.49361E-03 -0.81969E-05 800 0.707E-02 0.164E-02
DAV: 19 -0.903368845979E+02 -0.32121E-03 -0.15578E-04 641 0.735E-02 0.167E-02
DAV: 20 -0.903369784514E+02 -0.93854E-04 -0.12795E-05 480 0.292E-02 0.116E-02
DAV: 21 -0.903370415906E+02 -0.63139E-04 -0.34530E-05 575 0.326E-02 0.361E-03
DAV: 22 -0.903370822694E+02 -0.40679E-04 -0.51942E-06 442 0.166E-02 0.182E-03
DAV: 23 -0.903370897259E+02 -0.74565E-05 -0.21361E-06 496 0.670E-03
1 F= -.90337090E+02 E0= -.90345340E+02 d E =0.247505E-01