iterations/neb0_image07_iter122_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 0.376326704001E+03 0.37633E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.407638028865E+01 -0.37225E+03 -0.35865E+03 869 0.196E+02
DAV: 3 -0.963342164281E+02 -0.10041E+03 -0.10008E+03 664 0.117E+02
DAV: 4 -0.100997513188E+03 -0.46633E+01 -0.46514E+01 696 0.288E+01
DAV: 5 -0.101091662831E+03 -0.94150E-01 -0.94104E-01 728 0.367E+00 0.227E+01
DAV: 6 -0.924825038655E+02 0.86092E+01 -0.30696E+01 712 0.302E+01 0.119E+01
DAV: 7 -0.916214814398E+02 0.86102E+00 -0.16725E+00 728 0.613E+00 0.481E+00
DAV: 8 -0.912423287147E+02 0.37915E+00 -0.55763E-01 712 0.402E+00 0.163E+00
DAV: 9 -0.911588951934E+02 0.83434E-01 -0.13091E-01 720 0.155E+00 0.426E-01
DAV: 10 -0.911494177022E+02 0.94775E-02 -0.47292E-02 741 0.111E+00 0.308E-01
DAV: 11 -0.911544447376E+02 -0.50270E-02 -0.14073E-02 616 0.620E-01 0.157E-01
DAV: 12 -0.911571835641E+02 -0.27388E-02 -0.31212E-03 639 0.247E-01 0.144E-01
DAV: 13 -0.911612014141E+02 -0.40179E-02 -0.33024E-03 690 0.337E-01 0.615E-02
DAV: 14 -0.911636380438E+02 -0.24366E-02 -0.49564E-04 658 0.112E-01 0.561E-02
DAV: 15 -0.911661595799E+02 -0.25215E-02 -0.34991E-04 629 0.896E-02 0.288E-02
DAV: 16 -0.911670401659E+02 -0.88059E-03 -0.27552E-04 688 0.806E-02 0.268E-02
DAV: 17 -0.911675567150E+02 -0.51655E-03 -0.95158E-05 634 0.585E-02 0.104E-02
DAV: 18 -0.911677022299E+02 -0.14551E-03 -0.16835E-05 496 0.226E-02 0.693E-03
DAV: 19 -0.911677645420E+02 -0.62312E-04 -0.12253E-05 448 0.206E-02 0.258E-03
DAV: 20 -0.911678046192E+02 -0.40077E-04 -0.43923E-06 434 0.989E-03 0.271E-03
DAV: 21 -0.911678222803E+02 -0.17661E-04 -0.22011E-06 445 0.748E-03 0.143E-03
DAV: 22 -0.911678272429E+02 -0.49626E-05 -0.16847E-06 445 0.685E-03
1 F= -.91167827E+02 E0= -.91173233E+02 d E =0.162163E-01