./iterations/neb0_image03_iter195_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 0.364007458997E+03 0.36401E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.200750138933E-01 -0.36399E+03 -0.35390E+03 858 0.195E+02
DAV: 3 -0.960909765320E+02 -0.96111E+02 -0.95803E+02 666 0.115E+02
DAV: 4 -0.100272676094E+03 -0.41817E+01 -0.41703E+01 712 0.273E+01
DAV: 5 -0.100355063017E+03 -0.82387E-01 -0.82349E-01 736 0.345E+00 0.222E+01
DAV: 6 -0.917269536461E+02 0.86281E+01 -0.31009E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908847721592E+02 0.84218E+00 -0.18249E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904875828387E+02 0.39719E+00 -0.56448E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903908875590E+02 0.96695E-01 -0.12972E-01 720 0.181E+00 0.445E-01
DAV: 10 -0.903827402377E+02 0.81473E-02 -0.53500E-02 712 0.129E+00 0.354E-01
DAV: 11 -0.903868162952E+02 -0.40761E-02 -0.12690E-02 624 0.738E-01 0.133E-01
DAV: 12 -0.903889915749E+02 -0.21753E-02 -0.58379E-03 629 0.373E-01 0.133E-01
DAV: 13 -0.903925072564E+02 -0.35157E-02 -0.33311E-03 826 0.452E-01 0.821E-02
DAV: 14 -0.903962775188E+02 -0.37703E-02 -0.15979E-03 669 0.247E-01 0.709E-02
DAV: 15 -0.903979935798E+02 -0.17161E-02 -0.26948E-04 672 0.909E-02 0.415E-02
DAV: 16 -0.904001489506E+02 -0.21554E-02 -0.75703E-04 653 0.153E-01 0.326E-02
DAV: 17 -0.904006347036E+02 -0.48575E-03 -0.63527E-05 704 0.647E-02 0.260E-02
DAV: 18 -0.904012751386E+02 -0.64044E-03 -0.34935E-04 687 0.126E-01 0.211E-02
DAV: 19 -0.904014540552E+02 -0.17892E-03 -0.63139E-05 680 0.572E-02 0.930E-03
DAV: 20 -0.904015648696E+02 -0.11081E-03 -0.28225E-05 570 0.247E-02 0.335E-03
DAV: 21 -0.904016232059E+02 -0.58336E-04 -0.64913E-06 450 0.118E-02 0.195E-03
DAV: 22 -0.904016610669E+02 -0.37861E-04 -0.75760E-06 461 0.114E-02 0.229E-03
DAV: 23 -0.904016669262E+02 -0.58594E-05 -0.19323E-06 520 0.958E-03
1 F= -.90401667E+02 E0= -.90407167E+02 d E =0.165014E-01