./iterations/neb0_image06_iter36_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.162814813186E+04 0.16281E+04 -0.42278E+04 306 0.696E+02
DAV: 2 0.303326438667E+03 -0.13248E+04 -0.12464E+04 420 0.167E+02
DAV: 3 -0.351937223644E+03 -0.65526E+03 -0.64897E+03 356 0.123E+02
DAV: 4 -0.432914912796E+03 -0.80978E+02 -0.80628E+02 308 0.545E+01
DAV: 5 -0.434833093841E+03 -0.19182E+01 -0.19144E+01 332 0.849E+00 0.426E+01
DAV: 6 -0.389054251140E+03 0.45779E+02 -0.14829E+02 316 0.285E+01 0.208E+01
DAV: 7 -0.385573339177E+03 0.34809E+01 -0.12555E+01 340 0.780E+00 0.103E+01
DAV: 8 -0.384151443710E+03 0.14219E+01 -0.20292E+00 332 0.375E+00 0.420E+00
DAV: 9 -0.383595114520E+03 0.55633E+00 -0.83974E-01 332 0.205E+00 0.127E+00
DAV: 10 -0.383549671797E+03 0.45443E-01 -0.46761E-01 372 0.102E+00 0.828E-01
DAV: 11 -0.383517724663E+03 0.31947E-01 -0.26416E-02 316 0.470E-01 0.622E-01
DAV: 12 -0.383498764780E+03 0.18960E-01 -0.14232E-01 348 0.637E-01 0.675E-01
DAV: 13 -0.383481476973E+03 0.17288E-01 -0.46912E-02 308 0.442E-01 0.364E-01
DAV: 14 -0.383483829872E+03 -0.23529E-02 -0.44675E-02 332 0.391E-01 0.516E-01
DAV: 15 -0.383482191034E+03 0.16388E-02 -0.25331E-02 300 0.287E-01 0.234E-01
DAV: 16 -0.383490367441E+03 -0.81764E-02 -0.95234E-03 300 0.296E-01 0.149E-01
DAV: 17 -0.383500555940E+03 -0.10188E-01 -0.10382E-02 340 0.253E-01 0.165E-01
DAV: 18 -0.383509115605E+03 -0.85597E-02 -0.55006E-03 348 0.217E-01 0.125E-01
DAV: 19 -0.383512319022E+03 -0.32034E-02 -0.18734E-03 332 0.141E-01 0.967E-02
DAV: 20 -0.383512378094E+03 -0.59072E-04 -0.40031E-04 324 0.483E-02 0.986E-02
DAV: 21 -0.383512348560E+03 0.29534E-04 -0.68053E-06 236 0.665E-03 0.963E-02
DAV: 22 -0.383512849326E+03 -0.50077E-03 -0.12269E-03 284 0.844E-02 0.109E-01
DAV: 23 -0.383516817454E+03 -0.39681E-02 -0.71748E-03 300 0.201E-01 0.299E-01
DAV: 24 -0.383522751537E+03 -0.59341E-02 -0.20904E-03 300 0.109E-01 0.456E-01
DAV: 25 -0.383529359115E+03 -0.66076E-02 -0.23565E-03 316 0.101E-01 0.640E-01
DAV: 26 -0.383535999851E+03 -0.66407E-02 -0.26639E-03 308 0.140E-01 0.868E-01
DAV: 27 -0.383534115873E+03 0.18840E-02 -0.65916E-04 292 0.759E-02 0.778E-01
DAV: 28 -0.383534358770E+03 -0.24290E-03 -0.39444E-05 324 0.143E-02 0.788E-01
DAV: 29 -0.383534820987E+03 -0.46222E-03 -0.12365E-04 324 0.372E-02 0.775E-01
DAV: 30 -0.383534669380E+03 0.15161E-03 -0.31850E-03 308 0.178E-01 0.624E-01
DAV: 31 -0.383533399299E+03 0.12701E-02 -0.29660E-03 324 0.152E-01 0.455E-01
DAV: 32 -0.383533554741E+03 -0.15544E-03 -0.49929E-04 316 0.535E-02 0.486E-01
DAV: 33 -0.383533543147E+03 0.11594E-04 -0.86850E-06 252 0.693E-03 0.485E-01
DAV: 34 -0.383533414672E+03 0.12848E-03 -0.23463E-05 300 0.120E-02 0.471E-01
DAV: 35 -0.383533874137E+03 -0.45947E-03 -0.61745E-05 292 0.331E-02 0.506E-01
DAV: 36 -0.383533902133E+03 -0.27996E-04 -0.49931E-05 316 0.180E-02 0.516E-01
DAV: 37 -0.383533919968E+03 -0.17835E-04 -0.91722E-06 228 0.114E-02 0.518E-01
DAV: 38 -0.383533738610E+03 0.18136E-03 -0.28049E-04 292 0.430E-02 0.465E-01
DAV: 39 -0.383533500393E+03 0.23822E-03 -0.16529E-03 308 0.107E-01 0.342E-01
DAV: 40 -0.383534019723E+03 -0.51933E-03 -0.49292E-04 308 0.542E-02 0.345E-01
DAV: 41 -0.383534227619E+03 -0.20790E-03 -0.25810E-05 268 0.141E-02 0.347E-01
DAV: 42 -0.383535151288E+03 -0.92367E-03 -0.47818E-04 292 0.570E-02 0.341E-01
DAV: 43 -0.383536266209E+03 -0.11149E-02 -0.33890E-04 300 0.504E-02 0.371E-01
DAV: 44 -0.383536431899E+03 -0.16569E-03 -0.11064E-04 324 0.276E-02 0.395E-01
DAV: 45 -0.383536488516E+03 -0.56617E-04 -0.67385E-05 308 0.193E-02 0.412E-01
DAV: 46 -0.383536564394E+03 -0.75878E-04 -0.12327E-05 228 0.102E-02 0.422E-01
DAV: 47 -0.383536657564E+03 -0.93169E-04 -0.58426E-05 299 0.170E-02 0.448E-01
DAV: 48 -0.383536733663E+03 -0.76100E-04 -0.65920E-06 212 0.673E-03 0.462E-01
DAV: 49 -0.383536834033E+03 -0.10037E-03 -0.32926E-05 300 0.131E-02 0.490E-01
DAV: 50 -0.383536836897E+03 -0.28642E-05 -0.12705E-06 244 0.319E-03
1 F= -.38353684E+03 E0= -.38355143E+03 d E =0.437842E-01