iterations/neb0_image03_iter153_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 0.364659189293E+03 0.36466E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.495040243178E+00 -0.36416E+03 -0.35377E+03 869 0.195E+02
DAV: 3 -0.960408566486E+02 -0.96536E+02 -0.96232E+02 680 0.115E+02
DAV: 4 -0.100164805384E+03 -0.41239E+01 -0.41143E+01 704 0.271E+01
DAV: 5 -0.100245700225E+03 -0.80895E-01 -0.80859E-01 736 0.341E+00 0.222E+01
DAV: 6 -0.916787540392E+02 0.85669E+01 -0.30685E+01 680 0.297E+01 0.116E+01
DAV: 7 -0.908386127316E+02 0.84014E+00 -0.17960E+00 696 0.634E+00 0.482E+00
DAV: 8 -0.904401544404E+02 0.39846E+00 -0.55981E-01 704 0.427E+00 0.165E+00
DAV: 9 -0.903451433965E+02 0.95011E-01 -0.12654E-01 712 0.178E+00 0.434E-01
DAV: 10 -0.903372377064E+02 0.79057E-02 -0.43610E-02 720 0.106E+00 0.335E-01
DAV: 11 -0.903415607553E+02 -0.43230E-02 -0.10941E-02 669 0.722E-01 0.158E-01
DAV: 12 -0.903427098672E+02 -0.11491E-02 -0.42925E-03 648 0.417E-01 0.112E-01
DAV: 13 -0.903476051950E+02 -0.48953E-02 -0.30477E-03 687 0.292E-01 0.935E-02
DAV: 14 -0.903510762567E+02 -0.34711E-02 -0.87942E-04 669 0.147E-01 0.406E-02
DAV: 15 -0.903536444721E+02 -0.25682E-02 -0.52483E-04 677 0.126E-01 0.258E-02
DAV: 16 -0.903550051786E+02 -0.13607E-02 -0.94307E-05 688 0.526E-02 0.173E-02
DAV: 17 -0.903561822319E+02 -0.11771E-02 -0.21402E-04 646 0.771E-02 0.144E-02
DAV: 18 -0.903564279944E+02 -0.24576E-03 -0.27759E-05 640 0.353E-02 0.108E-02
DAV: 19 -0.903565576790E+02 -0.12968E-03 -0.36738E-05 653 0.361E-02 0.605E-03
DAV: 20 -0.903566296156E+02 -0.71937E-04 -0.88903E-06 480 0.263E-02 0.209E-03
DAV: 21 -0.903566820615E+02 -0.52446E-04 -0.97303E-06 431 0.135E-02 0.324E-03
DAV: 22 -0.903566930303E+02 -0.10969E-04 -0.17220E-06 504 0.744E-03 0.211E-03
DAV: 23 -0.903567012172E+02 -0.81868E-05 -0.64968E-06 418 0.187E-02
1 F= -.90356701E+02 E0= -.90365520E+02 d E =0.264557E-01