iterations/neb0_image01_iter2_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 0.367157431899E+03 0.36716E+03 -0.14307E+04 624 0.799E+02
DAV: 2 0.260705866602E+01 -0.36455E+03 -0.35280E+03 847 0.196E+02
DAV: 3 -0.954960895642E+02 -0.98103E+02 -0.97798E+02 653 0.116E+02
DAV: 4 -0.100014432037E+03 -0.45183E+01 -0.45067E+01 720 0.289E+01
DAV: 5 -0.100107706614E+03 -0.93275E-01 -0.93240E-01 736 0.368E+00 0.225E+01
DAV: 6 -0.913385007332E+02 0.87692E+01 -0.31236E+01 680 0.299E+01 0.118E+01
DAV: 7 -0.904988681731E+02 0.83963E+00 -0.18241E+00 720 0.631E+00 0.486E+00
DAV: 8 -0.901194459796E+02 0.37942E+00 -0.56684E-01 728 0.436E+00 0.168E+00
DAV: 9 -0.900386465543E+02 0.80799E-01 -0.13465E-01 728 0.166E+00 0.435E-01
DAV: 10 -0.900334854185E+02 0.51611E-02 -0.41778E-02 712 0.118E+00 0.314E-01
DAV: 11 -0.900375489291E+02 -0.40635E-02 -0.70876E-03 608 0.512E-01 0.127E-01
DAV: 12 -0.900401282708E+02 -0.25793E-02 -0.31354E-03 656 0.289E-01 0.984E-02
DAV: 13 -0.900432738377E+02 -0.31456E-02 -0.28329E-04 612 0.228E-01 0.748E-02
DAV: 14 -0.900458116181E+02 -0.25378E-02 -0.86714E-04 781 0.293E-01 0.434E-02
DAV: 15 -0.900476327879E+02 -0.18212E-02 -0.41077E-04 669 0.143E-01 0.371E-02
DAV: 16 -0.900482768522E+02 -0.64406E-03 -0.15001E-04 704 0.778E-02 0.307E-02
DAV: 17 -0.900490957624E+02 -0.81891E-03 -0.54546E-05 660 0.457E-02 0.180E-02
DAV: 18 -0.900498041890E+02 -0.70843E-03 -0.83967E-05 621 0.603E-02 0.119E-02
DAV: 19 -0.900500345469E+02 -0.23036E-03 -0.68809E-05 656 0.458E-02 0.154E-02
DAV: 20 -0.900500755666E+02 -0.41020E-04 -0.22660E-05 629 0.355E-02 0.869E-03
DAV: 21 -0.900501343140E+02 -0.58747E-04 -0.12112E-05 464 0.198E-02 0.556E-03
DAV: 22 -0.900502076305E+02 -0.73317E-04 -0.11840E-05 470 0.139E-02 0.585E-03
DAV: 23 -0.900502133524E+02 -0.57220E-05 -0.16492E-06 504 0.134E-02
1 F= -.90050213E+02 E0= -.90063378E+02 d E =0.394940E-01