iterations/neb0_image02_iter154_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 0.364052513638E+03 0.36405E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.272510145522E+01 -0.36133E+03 -0.34838E+03 845 0.195E+02
DAV: 3 -0.955407528087E+02 -0.98266E+02 -0.97930E+02 656 0.116E+02
DAV: 4 -0.100217245059E+03 -0.46765E+01 -0.46647E+01 720 0.290E+01
DAV: 5 -0.100309975043E+03 -0.92730E-01 -0.92697E-01 752 0.366E+00 0.222E+01
DAV: 6 -0.916731774706E+02 0.86368E+01 -0.30968E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908586444965E+02 0.81453E+00 -0.18481E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.904778893483E+02 0.38076E+00 -0.55597E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903906972819E+02 0.87192E-01 -0.13764E-01 696 0.167E+00 0.430E-01
DAV: 10 -0.903849894352E+02 0.57078E-02 -0.49191E-02 704 0.129E+00 0.328E-01
DAV: 11 -0.903885094386E+02 -0.35200E-02 -0.74781E-03 616 0.535E-01 0.136E-01
DAV: 12 -0.903917865821E+02 -0.32771E-02 -0.74659E-03 640 0.465E-01 0.136E-01
DAV: 13 -0.903943226688E+02 -0.25361E-02 -0.18549E-03 901 0.350E-01 0.825E-02
DAV: 14 -0.903974560983E+02 -0.31334E-02 -0.14148E-03 642 0.177E-01 0.660E-02
DAV: 15 -0.903994539015E+02 -0.19978E-02 -0.37514E-04 677 0.110E-01 0.509E-02
DAV: 16 -0.904009467411E+02 -0.14928E-02 -0.95537E-04 664 0.181E-01 0.380E-02
DAV: 17 -0.904017329699E+02 -0.78623E-03 -0.16157E-04 744 0.876E-02 0.251E-02
DAV: 18 -0.904020045882E+02 -0.27162E-03 -0.72788E-05 664 0.399E-02 0.109E-02
DAV: 19 -0.904021826382E+02 -0.17805E-03 -0.50373E-05 634 0.365E-02 0.758E-03
DAV: 20 -0.904022025086E+02 -0.19870E-04 -0.46915E-06 512 0.159E-02 0.642E-03
DAV: 21 -0.904022443382E+02 -0.41830E-04 -0.79271E-06 422 0.153E-02 0.436E-03
DAV: 22 -0.904022586256E+02 -0.14287E-04 -0.45154E-06 480 0.138E-02 0.217E-03
DAV: 23 -0.904022602904E+02 -0.16648E-05 -0.20308E-06 536 0.833E-03
1 F= -.90402260E+02 E0= -.90408442E+02 d E =0.185450E-01