iterations/neb0_image05_iter260_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 0.368142185019E+03 0.36814E+03 -0.14309E+04 624 0.799E+02
DAV: 2 0.385555529426E+01 -0.36429E+03 -0.35017E+03 845 0.196E+02
DAV: 3 -0.956385506800E+02 -0.99494E+02 -0.99156E+02 672 0.116E+02
DAV: 4 -0.100207854490E+03 -0.45693E+01 -0.45587E+01 696 0.288E+01
DAV: 5 -0.100295713689E+03 -0.87859E-01 -0.87815E-01 736 0.359E+00 0.223E+01
DAV: 6 -0.916391168288E+02 0.86566E+01 -0.31219E+01 704 0.300E+01 0.117E+01
DAV: 7 -0.908070856249E+02 0.83203E+00 -0.17639E+00 720 0.624E+00 0.483E+00
DAV: 8 -0.904286168575E+02 0.37847E+00 -0.55154E-01 736 0.427E+00 0.166E+00
DAV: 9 -0.903435765259E+02 0.85040E-01 -0.12880E-01 720 0.168E+00 0.431E-01
DAV: 10 -0.903367557188E+02 0.68208E-02 -0.45927E-02 728 0.122E+00 0.320E-01
DAV: 11 -0.903404413805E+02 -0.36857E-02 -0.84045E-03 608 0.592E-01 0.122E-01
DAV: 12 -0.903429830509E+02 -0.25417E-02 -0.63854E-03 624 0.415E-01 0.133E-01
DAV: 13 -0.903456312657E+02 -0.26482E-02 -0.20919E-03 869 0.340E-01 0.807E-02
DAV: 14 -0.903495961918E+02 -0.39649E-02 -0.16374E-03 627 0.180E-01 0.689E-02
DAV: 15 -0.903515654348E+02 -0.19692E-02 -0.30286E-04 840 0.114E-01 0.423E-02
DAV: 16 -0.903537364920E+02 -0.21711E-02 -0.12251E-03 650 0.212E-01 0.522E-02
DAV: 17 -0.903542198316E+02 -0.48334E-03 -0.17570E-04 736 0.879E-02 0.372E-02
DAV: 18 -0.903543880785E+02 -0.16825E-03 -0.56153E-05 672 0.419E-02 0.228E-02
DAV: 19 -0.903547487172E+02 -0.36064E-03 -0.18155E-04 649 0.806E-02 0.139E-02
DAV: 20 -0.903547885747E+02 -0.39857E-04 -0.22115E-05 584 0.340E-02 0.107E-02
DAV: 21 -0.903548306554E+02 -0.42081E-04 -0.11497E-05 408 0.204E-02 0.720E-03
DAV: 22 -0.903548554296E+02 -0.24774E-04 -0.65341E-06 469 0.152E-02 0.445E-03
DAV: 23 -0.903548594332E+02 -0.40036E-05 -0.61658E-06 472 0.138E-02
1 F= -.90354859E+02 E0= -.90359885E+02 d E =0.150767E-01