./iterations/neb0_image03_iter124_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 0.366646960939E+03 0.36665E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.224959847144E+01 -0.36440E+03 -0.35321E+03 861 0.195E+02
DAV: 3 -0.957493959348E+02 -0.97999E+02 -0.97693E+02 669 0.116E+02
DAV: 4 -0.100179731196E+03 -0.44303E+01 -0.44206E+01 712 0.280E+01
DAV: 5 -0.100267922870E+03 -0.88192E-01 -0.88157E-01 736 0.351E+00 0.222E+01
DAV: 6 -0.916839081430E+02 0.85840E+01 -0.30682E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908407459699E+02 0.84316E+00 -0.18227E+00 704 0.639E+00 0.482E+00
DAV: 8 -0.904391883590E+02 0.40156E+00 -0.56320E-01 704 0.431E+00 0.166E+00
DAV: 9 -0.903441217991E+02 0.95067E-01 -0.13000E-01 704 0.185E+00 0.453E-01
DAV: 10 -0.903359580472E+02 0.81638E-02 -0.36228E-02 720 0.952E-01 0.330E-01
DAV: 11 -0.903387484091E+02 -0.27904E-02 -0.81226E-03 741 0.626E-01 0.158E-01
DAV: 12 -0.903405032117E+02 -0.17548E-02 -0.28407E-03 645 0.375E-01 0.112E-01
DAV: 13 -0.903452117521E+02 -0.47085E-02 -0.30449E-03 629 0.286E-01 0.860E-02
DAV: 14 -0.903493229151E+02 -0.41112E-02 -0.10612E-03 647 0.166E-01 0.398E-02
DAV: 15 -0.903513900672E+02 -0.20672E-02 -0.29754E-04 768 0.988E-02 0.234E-02
DAV: 16 -0.903531576766E+02 -0.17676E-02 -0.14342E-04 669 0.535E-02 0.134E-02
DAV: 17 -0.903542646696E+02 -0.11070E-02 -0.11907E-04 664 0.434E-02 0.661E-03
DAV: 18 -0.903545242625E+02 -0.25959E-03 -0.23110E-05 560 0.186E-02 0.452E-03
DAV: 19 -0.903546434242E+02 -0.11916E-03 -0.10785E-05 428 0.191E-02 0.263E-03
DAV: 20 -0.903546867917E+02 -0.43368E-04 -0.72796E-06 464 0.113E-02 0.289E-03
DAV: 21 -0.903546974455E+02 -0.10654E-04 -0.22392E-06 512 0.113E-02 0.171E-03
DAV: 22 -0.903547050226E+02 -0.75771E-05 -0.18722E-06 418 0.693E-03
1 F= -.90354705E+02 E0= -.90363360E+02 d E =0.259634E-01