iterations/neb0_image09_iter269_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 0.374087747800E+03 0.37409E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.330131797014E+01 -0.37079E+03 -0.35814E+03 869 0.196E+02
DAV: 3 -0.967441060899E+02 -0.10005E+03 -0.99720E+02 661 0.117E+02
DAV: 4 -0.101277699527E+03 -0.45336E+01 -0.45229E+01 720 0.287E+01
DAV: 5 -0.101366716325E+03 -0.89017E-01 -0.88980E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926805349814E+02 0.86862E+01 -0.31019E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918113831398E+02 0.86915E+00 -0.17169E+00 720 0.612E+00 0.479E+00
DAV: 8 -0.914359933269E+02 0.37539E+00 -0.54212E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913552210178E+02 0.80772E-01 -0.13232E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913470966852E+02 0.81243E-02 -0.44709E-02 768 0.108E+00 0.302E-01
DAV: 11 -0.913516458359E+02 -0.45492E-02 -0.12748E-02 608 0.588E-01 0.139E-01
DAV: 12 -0.913547158598E+02 -0.30700E-02 -0.28307E-03 620 0.234E-01 0.110E-01
DAV: 13 -0.913583244058E+02 -0.36085E-02 -0.17503E-03 717 0.221E-01 0.433E-02
DAV: 14 -0.913617767384E+02 -0.34523E-02 -0.61051E-04 664 0.141E-01 0.291E-02
DAV: 15 -0.913629224134E+02 -0.11457E-02 -0.11908E-04 712 0.688E-02 0.294E-02
DAV: 16 -0.913642139039E+02 -0.12915E-02 -0.31723E-04 634 0.101E-01 0.207E-02
DAV: 17 -0.913644948227E+02 -0.28092E-03 -0.45958E-05 680 0.532E-02 0.136E-02
DAV: 18 -0.913646868758E+02 -0.19205E-03 -0.48659E-05 637 0.384E-02 0.972E-03
DAV: 19 -0.913648447824E+02 -0.15791E-03 -0.15859E-05 458 0.214E-02 0.374E-03
DAV: 20 -0.913648808942E+02 -0.36112E-04 -0.79890E-06 480 0.132E-02 0.169E-03
DAV: 21 -0.913649026289E+02 -0.21735E-04 -0.30888E-06 423 0.669E-03 0.158E-03
DAV: 22 -0.913649051503E+02 -0.25214E-05 -0.65009E-07 512 0.355E-03
1 F= -.91364905E+02 E0= -.91369754E+02 d E =0.145457E-01