iterations/neb0_image04_iter94_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 0.370411959885E+03 0.37041E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.505292803601E+01 -0.36536E+03 -0.35163E+03 842 0.195E+02
DAV: 3 -0.954479158142E+02 -0.10050E+03 -0.10018E+03 693 0.117E+02
DAV: 4 -0.998163288341E+02 -0.43684E+01 -0.43583E+01 712 0.276E+01
DAV: 5 -0.998999600711E+02 -0.83631E-01 -0.83594E-01 720 0.345E+00 0.222E+01
DAV: 6 -0.914112277720E+02 0.84887E+01 -0.29992E+01 685 0.295E+01 0.116E+01
DAV: 7 -0.905627605579E+02 0.84847E+00 -0.17438E+00 712 0.627E+00 0.479E+00
DAV: 8 -0.901656058674E+02 0.39715E+00 -0.55682E-01 728 0.422E+00 0.165E+00
DAV: 9 -0.900706898307E+02 0.94916E-01 -0.13384E-01 712 0.176E+00 0.437E-01
DAV: 10 -0.900612660427E+02 0.94238E-02 -0.57542E-02 704 0.136E+00 0.350E-01
DAV: 11 -0.900654115398E+02 -0.41455E-02 -0.14409E-02 624 0.709E-01 0.142E-01
DAV: 12 -0.900671984790E+02 -0.17869E-02 -0.46413E-03 647 0.310E-01 0.139E-01
DAV: 13 -0.900708197452E+02 -0.36213E-02 -0.26024E-03 845 0.386E-01 0.756E-02
DAV: 14 -0.900744048488E+02 -0.35851E-02 -0.12778E-03 650 0.171E-01 0.658E-02
DAV: 15 -0.900766965313E+02 -0.22917E-02 -0.34591E-04 733 0.120E-01 0.363E-02
DAV: 16 -0.900783899992E+02 -0.16935E-02 -0.55224E-04 677 0.127E-01 0.314E-02
DAV: 17 -0.900793771767E+02 -0.98718E-03 -0.16489E-04 794 0.813E-02 0.156E-02
DAV: 18 -0.900796969954E+02 -0.31982E-03 -0.54307E-05 600 0.336E-02 0.819E-03
DAV: 19 -0.900798555015E+02 -0.15851E-03 -0.22552E-05 511 0.206E-02 0.519E-03
DAV: 20 -0.900798786189E+02 -0.23117E-04 -0.23623E-06 528 0.800E-03 0.391E-03
DAV: 21 -0.900799121942E+02 -0.33575E-04 -0.50488E-06 392 0.108E-02 0.138E-03
DAV: 22 -0.900799194734E+02 -0.72792E-05 -0.17482E-06 480 0.586E-03
1 F= -.90079919E+02 E0= -.90083972E+02 d E =0.121584E-01