./iterations/neb0_image04_iter153_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 0.364221250860E+03 0.36422E+03 -0.14352E+04 640 0.799E+02
DAV: 2 0.115476589808E+01 -0.36307E+03 -0.35021E+03 874 0.194E+02
DAV: 3 -0.957602944119E+02 -0.96915E+02 -0.96590E+02 658 0.115E+02
DAV: 4 -0.100114519284E+03 -0.43542E+01 -0.43436E+01 712 0.282E+01
DAV: 5 -0.100197409010E+03 -0.82890E-01 -0.82856E-01 736 0.354E+00 0.223E+01
DAV: 6 -0.915454669485E+02 0.86519E+01 -0.30730E+01 688 0.297E+01 0.116E+01
DAV: 7 -0.906973624665E+02 0.84810E+00 -0.18025E+00 712 0.629E+00 0.482E+00
DAV: 8 -0.902962527777E+02 0.40111E+00 -0.55002E-01 704 0.419E+00 0.165E+00
DAV: 9 -0.901997589650E+02 0.96494E-01 -0.13386E-01 728 0.171E+00 0.434E-01
DAV: 10 -0.901909424309E+02 0.88165E-02 -0.43045E-02 712 0.105E+00 0.333E-01
DAV: 11 -0.901969222058E+02 -0.59798E-02 -0.15609E-02 680 0.835E-01 0.212E-01
DAV: 12 -0.901974124781E+02 -0.49027E-03 -0.36368E-03 680 0.378E-01 0.156E-01
DAV: 13 -0.902008453134E+02 -0.34328E-02 -0.56493E-03 613 0.444E-01 0.946E-02
DAV: 14 -0.902045099511E+02 -0.36646E-02 -0.99843E-04 639 0.173E-01 0.685E-02
DAV: 15 -0.902071820385E+02 -0.26721E-02 -0.75179E-04 672 0.154E-01 0.262E-02
DAV: 16 -0.902091018143E+02 -0.19198E-02 -0.30626E-04 663 0.899E-02 0.257E-02
DAV: 17 -0.902100470917E+02 -0.94528E-03 -0.98007E-05 666 0.509E-02 0.152E-02
DAV: 18 -0.902104254947E+02 -0.37840E-03 -0.85123E-05 653 0.504E-02 0.909E-03
DAV: 19 -0.902105988028E+02 -0.17331E-03 -0.12829E-05 468 0.178E-02 0.683E-03
DAV: 20 -0.902106841342E+02 -0.85331E-04 -0.12027E-05 464 0.164E-02 0.228E-03
DAV: 21 -0.902107326650E+02 -0.48531E-04 -0.74552E-06 439 0.112E-02 0.159E-03
DAV: 22 -0.902107399505E+02 -0.72855E-05 -0.15303E-06 528 0.578E-03
1 F= -.90210740E+02 E0= -.90220177E+02 d E =0.283119E-01