iterations/neb0_image04_iter297_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 0.365405523329E+03 0.36541E+03 -0.14306E+04 624 0.799E+02
DAV: 2 0.627584095784E+00 -0.36478E+03 -0.35292E+03 869 0.195E+02
DAV: 3 -0.959823956656E+02 -0.96610E+02 -0.96305E+02 656 0.115E+02
DAV: 4 -0.100325207249E+03 -0.43428E+01 -0.43350E+01 720 0.282E+01
DAV: 5 -0.100410193705E+03 -0.84986E-01 -0.84961E-01 736 0.353E+00 0.223E+01
DAV: 6 -0.916822567361E+02 0.87279E+01 -0.31452E+01 672 0.300E+01 0.117E+01
DAV: 7 -0.908369503344E+02 0.84531E+00 -0.18021E+00 720 0.657E+00 0.485E+00
DAV: 8 -0.904308484744E+02 0.40610E+00 -0.53063E-01 712 0.451E+00 0.181E+00
DAV: 9 -0.903408160401E+02 0.90032E-01 -0.16336E-01 720 0.214E+00 0.578E-01
DAV: 10 -0.903267533446E+02 0.14063E-01 -0.34491E-02 720 0.102E+00 0.347E-01
DAV: 11 -0.903287096798E+02 -0.19563E-02 -0.14759E-02 656 0.630E-01 0.243E-01
DAV: 12 -0.903312510677E+02 -0.25414E-02 -0.30232E-03 680 0.477E-01 0.143E-01
DAV: 13 -0.903344275974E+02 -0.31765E-02 -0.30975E-03 631 0.372E-01 0.119E-01
DAV: 14 -0.903370199728E+02 -0.25924E-02 -0.19119E-03 805 0.283E-01 0.568E-02
DAV: 15 -0.903399956496E+02 -0.29757E-02 -0.75899E-04 631 0.133E-01 0.474E-02
DAV: 16 -0.903422705713E+02 -0.22749E-02 -0.40159E-04 765 0.139E-01 0.239E-02
DAV: 17 -0.903435430596E+02 -0.12725E-02 -0.25096E-04 669 0.749E-02 0.263E-02
DAV: 18 -0.903440897010E+02 -0.54664E-03 -0.55089E-05 698 0.543E-02 0.139E-02
DAV: 19 -0.903445054005E+02 -0.41570E-03 -0.13257E-04 638 0.685E-02 0.150E-02
DAV: 20 -0.903445534266E+02 -0.48026E-04 -0.12977E-05 528 0.352E-02 0.776E-03
DAV: 21 -0.903446244167E+02 -0.70990E-04 -0.48414E-05 592 0.378E-02 0.863E-03
DAV: 22 -0.903446441332E+02 -0.19717E-04 -0.81831E-06 480 0.274E-02 0.245E-03
DAV: 23 -0.903446517028E+02 -0.75695E-05 -0.75839E-06 485 0.148E-02
1 F= -.90344652E+02 E0= -.90353004E+02 d E =0.250575E-01