iterations/neb0_image05_iter5_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 0.361034830512E+03 0.36103E+03 -0.14180E+04 624 0.799E+02
DAV: 2 0.761456813442E+01 -0.35342E+03 -0.34019E+03 861 0.192E+02
DAV: 3 -0.900755744003E+02 -0.97690E+02 -0.96961E+02 720 0.114E+02
DAV: 4 -0.947176436903E+02 -0.46421E+01 -0.46210E+01 704 0.270E+01
DAV: 5 -0.948191652475E+02 -0.10152E+00 -0.10148E+00 725 0.352E+00 0.218E+01
DAV: 6 -0.864319633473E+02 0.83872E+01 -0.31883E+01 685 0.312E+01 0.115E+01
DAV: 7 -0.856514242776E+02 0.78054E+00 -0.23849E+00 720 0.816E+00 0.502E+00
DAV: 8 -0.852547519004E+02 0.39667E+00 -0.69865E-01 728 0.471E+00 0.182E+00
DAV: 9 -0.851832154912E+02 0.71536E-01 -0.16905E-01 712 0.192E+00 0.631E-01
DAV: 10 -0.851682614519E+02 0.14954E-01 -0.57780E-02 720 0.140E+00 0.371E-01
DAV: 11 -0.851682806166E+02 -0.19165E-04 -0.12692E-02 776 0.787E-01 0.208E-01
DAV: 12 -0.851710130623E+02 -0.27324E-02 -0.95414E-03 596 0.478E-01 0.152E-01
DAV: 13 -0.851739732461E+02 -0.29602E-02 -0.14049E-03 767 0.248E-01 0.820E-02
DAV: 14 -0.851781399024E+02 -0.41667E-02 -0.23632E-03 641 0.265E-01 0.695E-02
DAV: 15 -0.851795577234E+02 -0.14178E-02 -0.34953E-04 952 0.154E-01 0.333E-02
DAV: 16 -0.851816104146E+02 -0.20527E-02 -0.48036E-04 647 0.114E-01 0.281E-02
DAV: 17 -0.851825364251E+02 -0.92601E-03 -0.75679E-05 744 0.656E-02 0.143E-02
DAV: 18 -0.851833476481E+02 -0.81122E-03 -0.16431E-04 655 0.650E-02 0.147E-02
DAV: 19 -0.851835260202E+02 -0.17837E-03 -0.14808E-05 496 0.321E-02 0.857E-03
DAV: 20 -0.851836903295E+02 -0.16431E-03 -0.68324E-05 612 0.431E-02 0.957E-03
DAV: 21 -0.851837040066E+02 -0.13677E-04 -0.86841E-06 520 0.259E-02 0.333E-03
DAV: 22 -0.851837319572E+02 -0.27951E-04 -0.94789E-06 401 0.152E-02 0.173E-03
DAV: 23 -0.851837448347E+02 -0.12877E-04 -0.28807E-06 469 0.761E-03 0.244E-03
DAV: 24 -0.851837487504E+02 -0.39157E-05 -0.64817E-07 422 0.722E-03
1 F= -.85183749E+02 E0= -.85187656E+02 d E =0.117207E-01