./iterations/neb0_image07_iter177_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 0.371154646952E+03 0.37115E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.322461551263E+01 -0.36793E+03 -0.35529E+03 869 0.194E+02
DAV: 3 -0.962643691250E+02 -0.99489E+02 -0.99165E+02 664 0.116E+02
DAV: 4 -0.101015091258E+03 -0.47507E+01 -0.47390E+01 696 0.291E+01
DAV: 5 -0.101113933543E+03 -0.98842E-01 -0.98776E-01 736 0.375E+00 0.226E+01
DAV: 6 -0.925494702814E+02 0.85645E+01 -0.30459E+01 736 0.298E+01 0.119E+01
DAV: 7 -0.917022823746E+02 0.84719E+00 -0.17183E+00 720 0.615E+00 0.478E+00
DAV: 8 -0.913332235385E+02 0.36906E+00 -0.52733E-01 728 0.395E+00 0.163E+00
DAV: 9 -0.912522813714E+02 0.80942E-01 -0.13059E-01 728 0.157E+00 0.419E-01
DAV: 10 -0.912439070743E+02 0.83743E-02 -0.42745E-02 749 0.109E+00 0.297E-01
DAV: 11 -0.912481212964E+02 -0.42142E-02 -0.11798E-02 608 0.571E-01 0.136E-01
DAV: 12 -0.912510826599E+02 -0.29614E-02 -0.27465E-03 642 0.263E-01 0.934E-02
DAV: 13 -0.912547969350E+02 -0.37143E-02 -0.12012E-03 634 0.177E-01 0.499E-02
DAV: 14 -0.912579924734E+02 -0.31955E-02 -0.66647E-04 802 0.183E-01 0.365E-02
DAV: 15 -0.912593076820E+02 -0.13152E-02 -0.26305E-04 680 0.102E-01 0.327E-02
DAV: 16 -0.912604618043E+02 -0.11541E-02 -0.17940E-04 674 0.697E-02 0.126E-02
DAV: 17 -0.912611835724E+02 -0.72177E-03 -0.72246E-05 637 0.402E-02 0.115E-02
DAV: 18 -0.912614993839E+02 -0.31581E-03 -0.41246E-05 608 0.378E-02 0.732E-03
DAV: 19 -0.912615870667E+02 -0.87683E-04 -0.10079E-05 448 0.191E-02 0.416E-03
DAV: 20 -0.912616049500E+02 -0.17883E-04 -0.66392E-06 528 0.152E-02 0.238E-03
DAV: 21 -0.912616272985E+02 -0.22349E-04 -0.26801E-06 412 0.879E-03 0.856E-04
DAV: 22 -0.912616350740E+02 -0.77755E-05 -0.13106E-06 455 0.413E-03
1 F= -.91261635E+02 E0= -.91267075E+02 d E =0.163199E-01