iterations/neb0_image03_iter128_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 0.366269173844E+03 0.36627E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.265282465000E+01 -0.36362E+03 -0.35243E+03 853 0.195E+02
DAV: 3 -0.958598544906E+02 -0.98513E+02 -0.98204E+02 685 0.116E+02
DAV: 4 -0.100179911452E+03 -0.43201E+01 -0.43107E+01 704 0.273E+01
DAV: 5 -0.100266385903E+03 -0.86474E-01 -0.86438E-01 736 0.342E+00 0.222E+01
DAV: 6 -0.916861765655E+02 0.85802E+01 -0.30740E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908461395583E+02 0.84004E+00 -0.18173E+00 712 0.641E+00 0.482E+00
DAV: 8 -0.904452085210E+02 0.40093E+00 -0.56336E-01 704 0.435E+00 0.168E+00
DAV: 9 -0.903498316981E+02 0.95377E-01 -0.12878E-01 712 0.189E+00 0.463E-01
DAV: 10 -0.903411823768E+02 0.86493E-02 -0.37851E-02 712 0.969E-01 0.339E-01
DAV: 11 -0.903435823313E+02 -0.24000E-02 -0.78420E-03 797 0.641E-01 0.163E-01
DAV: 12 -0.903455640014E+02 -0.19817E-02 -0.35906E-03 645 0.376E-01 0.117E-01
DAV: 13 -0.903502387915E+02 -0.46748E-02 -0.32741E-03 626 0.312E-01 0.854E-02
DAV: 14 -0.903547702090E+02 -0.45314E-02 -0.10357E-03 639 0.171E-01 0.460E-02
DAV: 15 -0.903565371682E+02 -0.17670E-02 -0.31848E-04 704 0.104E-01 0.227E-02
DAV: 16 -0.903582604281E+02 -0.17233E-02 -0.14457E-04 661 0.563E-02 0.136E-02
DAV: 17 -0.903593376328E+02 -0.10772E-02 -0.10259E-04 640 0.431E-02 0.683E-03
DAV: 18 -0.903596401955E+02 -0.30256E-03 -0.32093E-05 592 0.224E-02 0.542E-03
DAV: 19 -0.903597559478E+02 -0.11575E-03 -0.11811E-05 460 0.267E-02 0.409E-03
DAV: 20 -0.903598099909E+02 -0.54043E-04 -0.91079E-06 448 0.141E-02 0.413E-03
DAV: 21 -0.903598263098E+02 -0.16319E-04 -0.35193E-06 488 0.125E-02 0.201E-03
DAV: 22 -0.903598354237E+02 -0.91139E-05 -0.34141E-06 426 0.112E-02
1 F= -.90359835E+02 E0= -.90368528E+02 d E =0.260787E-01