iterations/neb0_image06_iter2_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 0.368102916723E+03 0.36810E+03 -0.14283E+04 632 0.799E+02
DAV: 2 0.884800514478E+01 -0.35925E+03 -0.34631E+03 856 0.193E+02
DAV: 3 -0.909506785672E+02 -0.99799E+02 -0.99098E+02 680 0.116E+02
DAV: 4 -0.955875568858E+02 -0.46369E+01 -0.46228E+01 704 0.288E+01
DAV: 5 -0.956813206484E+02 -0.93764E-01 -0.93732E-01 736 0.364E+00 0.235E+01
DAV: 6 -0.859256107035E+02 0.97557E+01 -0.34451E+01 685 0.328E+01 0.123E+01
DAV: 7 -0.850620811017E+02 0.86353E+00 -0.21804E+00 720 0.815E+00 0.524E+00
DAV: 8 -0.846241959614E+02 0.43789E+00 -0.75276E-01 712 0.503E+00 0.182E+00
DAV: 9 -0.845375412493E+02 0.86655E-01 -0.17156E-01 704 0.217E+00 0.670E-01
DAV: 10 -0.845230793424E+02 0.14462E-01 -0.33242E-02 712 0.115E+00 0.320E-01
DAV: 11 -0.845203835489E+02 0.26958E-02 -0.82504E-03 688 0.602E-01 0.216E-01
DAV: 12 -0.845229257499E+02 -0.25422E-02 -0.81482E-03 613 0.625E-01 0.133E-01
DAV: 13 -0.845262765943E+02 -0.33508E-02 -0.22337E-03 661 0.257E-01 0.104E-01
DAV: 14 -0.845305482422E+02 -0.42716E-02 -0.29297E-03 622 0.332E-01 0.800E-02
DAV: 15 -0.845322892674E+02 -0.17410E-02 -0.39771E-04 669 0.162E-01 0.567E-02
DAV: 16 -0.845341635437E+02 -0.18743E-02 -0.13433E-03 660 0.232E-01 0.446E-02
DAV: 17 -0.845355506077E+02 -0.13871E-02 -0.24345E-04 716 0.120E-01 0.226E-02
DAV: 18 -0.845363351859E+02 -0.78458E-03 -0.19134E-04 685 0.689E-02 0.992E-03
DAV: 19 -0.845367562210E+02 -0.42104E-03 -0.34964E-05 527 0.324E-02 0.492E-03
DAV: 20 -0.845369421849E+02 -0.18596E-03 -0.19553E-05 530 0.185E-02 0.433E-03
DAV: 21 -0.845370091324E+02 -0.66948E-04 -0.70893E-06 415 0.150E-02 0.272E-03
DAV: 22 -0.845370390306E+02 -0.29898E-04 -0.80078E-06 452 0.152E-02 0.328E-03
DAV: 23 -0.845370447854E+02 -0.57548E-05 -0.20055E-06 480 0.906E-03
1 F= -.84537045E+02 E0= -.84540913E+02 d E =0.116044E-01