iterations/neb0_image03_iter277_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 0.363981418413E+03 0.36398E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.185646474038E+01 -0.36212E+03 -0.34927E+03 845 0.195E+02
DAV: 3 -0.960730093237E+02 -0.97929E+02 -0.97621E+02 677 0.116E+02
DAV: 4 -0.100355285521E+03 -0.42823E+01 -0.42720E+01 704 0.275E+01
DAV: 5 -0.100437847883E+03 -0.82562E-01 -0.82539E-01 736 0.343E+00 0.224E+01
DAV: 6 -0.917153551683E+02 0.87225E+01 -0.31455E+01 680 0.301E+01 0.118E+01
DAV: 7 -0.908701992319E+02 0.84516E+00 -0.18025E+00 712 0.631E+00 0.485E+00
DAV: 8 -0.904800228924E+02 0.39018E+00 -0.55357E-01 696 0.424E+00 0.170E+00
DAV: 9 -0.903898449017E+02 0.90178E-01 -0.13423E-01 712 0.169E+00 0.436E-01
DAV: 10 -0.903838625507E+02 0.59824E-02 -0.45205E-02 720 0.117E+00 0.327E-01
DAV: 11 -0.903880584974E+02 -0.41959E-02 -0.68451E-03 632 0.601E-01 0.119E-01
DAV: 12 -0.903911695260E+02 -0.31110E-02 -0.45588E-03 616 0.329E-01 0.109E-01
DAV: 13 -0.903954679843E+02 -0.42985E-02 -0.12459E-03 689 0.219E-01 0.813E-02
DAV: 14 -0.903989632607E+02 -0.34953E-02 -0.14316E-03 658 0.172E-01 0.513E-02
DAV: 15 -0.904007363480E+02 -0.17731E-02 -0.22074E-04 672 0.907E-02 0.246E-02
DAV: 16 -0.904023876777E+02 -0.16513E-02 -0.44285E-04 663 0.113E-01 0.317E-02
DAV: 17 -0.904025983594E+02 -0.21068E-03 -0.58612E-05 704 0.585E-02 0.186E-02
DAV: 18 -0.904029748393E+02 -0.37648E-03 -0.88167E-05 636 0.497E-02 0.806E-03
DAV: 19 -0.904032106813E+02 -0.23584E-03 -0.23685E-05 524 0.224E-02 0.615E-03
DAV: 20 -0.904032971273E+02 -0.86446E-04 -0.12320E-05 464 0.198E-02 0.292E-03
DAV: 21 -0.904033403959E+02 -0.43269E-04 -0.13483E-05 470 0.171E-02 0.450E-03
DAV: 22 -0.904033419145E+02 -0.15186E-05 -0.11644E-06 544 0.766E-03
1 F= -.90403342E+02 E0= -.90411699E+02 d E =0.250698E-01