iterations/neb0_image06_iter83_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 0.376086516123E+03 0.37609E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.368964611459E+01 -0.37240E+03 -0.36011E+03 877 0.195E+02
DAV: 3 -0.955803019577E+02 -0.99270E+02 -0.98950E+02 648 0.117E+02
DAV: 4 -0.100197075850E+03 -0.46168E+01 -0.46056E+01 704 0.293E+01
DAV: 5 -0.100291467762E+03 -0.94392E-01 -0.94357E-01 728 0.374E+00 0.227E+01
DAV: 6 -0.916288190343E+02 0.86626E+01 -0.30913E+01 685 0.307E+01 0.118E+01
DAV: 7 -0.907863927528E+02 0.84243E+00 -0.17103E+00 720 0.627E+00 0.482E+00
DAV: 8 -0.904024607661E+02 0.38393E+00 -0.52490E-01 712 0.401E+00 0.167E+00
DAV: 9 -0.903107288421E+02 0.91732E-01 -0.13241E-01 720 0.161E+00 0.424E-01
DAV: 10 -0.903009172845E+02 0.98116E-02 -0.42789E-02 728 0.106E+00 0.303E-01
DAV: 11 -0.903055163174E+02 -0.45990E-02 -0.12409E-02 615 0.655E-01 0.165E-01
DAV: 12 -0.903072243979E+02 -0.17081E-02 -0.23109E-03 656 0.264E-01 0.117E-01
DAV: 13 -0.903119680019E+02 -0.47436E-02 -0.34301E-03 648 0.374E-01 0.757E-02
DAV: 14 -0.903134245215E+02 -0.14565E-02 -0.48667E-04 784 0.161E-01 0.539E-02
DAV: 15 -0.903165067712E+02 -0.30822E-02 -0.89704E-04 626 0.165E-01 0.405E-02
DAV: 16 -0.903179422941E+02 -0.14355E-02 -0.22186E-04 688 0.766E-02 0.299E-02
DAV: 17 -0.903188662401E+02 -0.92395E-03 -0.17944E-04 805 0.914E-02 0.138E-02
DAV: 18 -0.903193739136E+02 -0.50767E-03 -0.11068E-04 663 0.609E-02 0.156E-02
DAV: 19 -0.903195386883E+02 -0.16477E-03 -0.14919E-05 480 0.244E-02 0.126E-02
DAV: 20 -0.903196187082E+02 -0.80020E-04 -0.29195E-05 589 0.339E-02 0.552E-03
DAV: 21 -0.903196785160E+02 -0.59808E-04 -0.78138E-06 420 0.149E-02 0.361E-03
DAV: 22 -0.903196969001E+02 -0.18384E-04 -0.38673E-06 477 0.112E-02 0.425E-03
DAV: 23 -0.903197043550E+02 -0.74549E-05 -0.29504E-06 392 0.110E-02
1 F= -.90319704E+02 E0= -.90325577E+02 d E =0.176193E-01