iterations/neb0_image07_iter283_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 0.375625394468E+03 0.37563E+03 -0.14288E+04 624 0.799E+02
DAV: 2 0.459577360516E+01 -0.37103E+03 -0.35971E+03 869 0.195E+02
DAV: 3 -0.962901548513E+02 -0.10089E+03 -0.10057E+03 648 0.117E+02
DAV: 4 -0.101226441218E+03 -0.49363E+01 -0.49244E+01 720 0.302E+01
DAV: 5 -0.101325157245E+03 -0.98716E-01 -0.98673E-01 736 0.383E+00 0.228E+01
DAV: 6 -0.926333852217E+02 0.86918E+01 -0.30952E+01 720 0.300E+01 0.119E+01
DAV: 7 -0.917562411743E+02 0.87714E+00 -0.17150E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.913772881950E+02 0.37895E+00 -0.54744E-01 736 0.398E+00 0.161E+00
DAV: 9 -0.912936741488E+02 0.83614E-01 -0.12724E-01 728 0.152E+00 0.423E-01
DAV: 10 -0.912839827223E+02 0.96914E-02 -0.43375E-02 728 0.105E+00 0.296E-01
DAV: 11 -0.912889082864E+02 -0.49256E-02 -0.12690E-02 613 0.574E-01 0.153E-01
DAV: 12 -0.912920849069E+02 -0.31766E-02 -0.29749E-03 612 0.232E-01 0.106E-01
DAV: 13 -0.912960295338E+02 -0.39446E-02 -0.21868E-03 673 0.244E-01 0.522E-02
DAV: 14 -0.912995125416E+02 -0.34830E-02 -0.91347E-04 653 0.185E-01 0.322E-02
DAV: 15 -0.913008904416E+02 -0.13779E-02 -0.20447E-04 680 0.780E-02 0.236E-02
DAV: 16 -0.913016149875E+02 -0.72455E-03 -0.13718E-04 752 0.759E-02 0.105E-02
DAV: 17 -0.913023364166E+02 -0.72143E-03 -0.69900E-05 623 0.348E-02 0.125E-02
DAV: 18 -0.913025120611E+02 -0.17564E-03 -0.11011E-05 496 0.164E-02 0.801E-03
DAV: 19 -0.913026608206E+02 -0.14876E-03 -0.41773E-05 609 0.341E-02 0.548E-03
DAV: 20 -0.913026726831E+02 -0.11863E-04 -0.32117E-06 528 0.137E-02 0.373E-03
DAV: 21 -0.913026866492E+02 -0.13966E-04 -0.53117E-06 403 0.135E-02 0.151E-03
DAV: 22 -0.913026931338E+02 -0.64845E-05 -0.10286E-06 434 0.645E-03
1 F= -.91302693E+02 E0= -.91307208E+02 d E =0.135445E-01