iterations/neb0_image08_iter184_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 0.374321844419E+03 0.37432E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.359386518101E+01 -0.37073E+03 -0.35851E+03 863 0.196E+02
DAV: 3 -0.966712950721E+02 -0.10027E+03 -0.99960E+02 669 0.117E+02
DAV: 4 -0.101267889541E+03 -0.45966E+01 -0.45845E+01 720 0.287E+01
DAV: 5 -0.101358634627E+03 -0.90745E-01 -0.90690E-01 712 0.364E+00 0.228E+01
DAV: 6 -0.926650030809E+02 0.86936E+01 -0.30917E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.917900665724E+02 0.87494E+00 -0.17303E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914144535896E+02 0.37561E+00 -0.54707E-01 720 0.397E+00 0.161E+00
DAV: 9 -0.913346543174E+02 0.79799E-01 -0.13056E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.913265710604E+02 0.80833E-02 -0.43741E-02 736 0.109E+00 0.300E-01
DAV: 11 -0.913313148549E+02 -0.47438E-02 -0.12883E-02 605 0.589E-01 0.144E-01
DAV: 12 -0.913343324720E+02 -0.30176E-02 -0.27481E-03 627 0.248E-01 0.101E-01
DAV: 13 -0.913376740430E+02 -0.33416E-02 -0.14539E-03 634 0.196E-01 0.451E-02
DAV: 14 -0.913413808557E+02 -0.37068E-02 -0.10771E-03 743 0.220E-01 0.459E-02
DAV: 15 -0.913420917574E+02 -0.71090E-03 -0.24337E-04 712 0.105E-01 0.349E-02
DAV: 16 -0.913430137932E+02 -0.92204E-03 -0.22811E-04 709 0.868E-02 0.126E-02
DAV: 17 -0.913438911950E+02 -0.87740E-03 -0.91808E-05 656 0.434E-02 0.132E-02
DAV: 18 -0.913441907882E+02 -0.29959E-03 -0.32591E-05 608 0.241E-02 0.984E-03
DAV: 19 -0.913443017582E+02 -0.11097E-03 -0.29027E-05 568 0.312E-02 0.502E-03
DAV: 20 -0.913443222001E+02 -0.20442E-04 -0.37383E-06 512 0.127E-02 0.378E-03
DAV: 21 -0.913443364393E+02 -0.14239E-04 -0.31335E-06 407 0.952E-03 0.131E-03
DAV: 22 -0.913443443565E+02 -0.79172E-05 -0.12908E-06 448 0.511E-03
1 F= -.91344344E+02 E0= -.91349495E+02 d E =0.154525E-01