iterations/neb0_image03_iter3_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144876363113E+04 0.14488E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224745241866E+03 -0.12240E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362422182496E+03 -0.58717E+03 -0.58350E+03 345 0.114E+02
DAV: 4 -0.433372441525E+03 -0.70950E+02 -0.70718E+02 309 0.508E+01
DAV: 5 -0.434963419261E+03 -0.15910E+01 -0.15883E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389047349740E+03 0.45916E+02 -0.14790E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385603654643E+03 0.34437E+01 -0.13719E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384135225120E+03 0.14684E+01 -0.21262E+00 336 0.385E+00 0.434E+00
DAV: 9 -0.383594828505E+03 0.54040E+00 -0.16948E+00 327 0.244E+00 0.139E+00
DAV: 10 -0.383528965926E+03 0.65863E-01 -0.34672E-01 327 0.117E+00 0.105E+00
DAV: 11 -0.383501984351E+03 0.26982E-01 -0.24444E-01 336 0.661E-01 0.989E-01
DAV: 12 -0.383480106538E+03 0.21878E-01 -0.25978E-01 336 0.737E-01 0.909E-01
DAV: 13 -0.383463831945E+03 0.16275E-01 -0.17012E-01 354 0.551E-01 0.718E-01
DAV: 14 -0.383451001774E+03 0.12830E-01 -0.56538E-02 336 0.390E-01 0.423E-01
DAV: 15 -0.383447906507E+03 0.30953E-02 -0.18415E-02 309 0.403E-01 0.301E-01
DAV: 16 -0.383452236764E+03 -0.43303E-02 -0.11382E-02 336 0.260E-01 0.203E-01
DAV: 17 -0.383459440111E+03 -0.72033E-02 -0.26837E-03 282 0.154E-01 0.150E-01
DAV: 18 -0.383470494652E+03 -0.11055E-01 -0.32327E-03 318 0.172E-01 0.104E-01
DAV: 19 -0.383478163382E+03 -0.76687E-02 -0.21882E-03 363 0.154E-01 0.877E-02
DAV: 20 -0.383479859253E+03 -0.16959E-02 -0.79580E-04 336 0.694E-02 0.916E-02
DAV: 21 -0.383480524606E+03 -0.66535E-03 -0.15442E-04 354 0.347E-02 0.103E-01
DAV: 22 -0.383479581235E+03 0.94337E-03 -0.95781E-05 327 0.517E-02 0.109E-01
DAV: 23 -0.383477609617E+03 0.19716E-02 -0.12076E-03 399 0.141E-01 0.141E-01
DAV: 24 -0.383487481997E+03 -0.98724E-02 -0.18507E-03 291 0.158E-01 0.100E-01
DAV: 25 -0.383488925711E+03 -0.14437E-02 -0.27355E-04 372 0.112E-01 0.604E-02
DAV: 26 -0.383493845782E+03 -0.49201E-02 -0.10260E-03 291 0.552E-02 0.792E-02
DAV: 27 -0.383495252017E+03 -0.14062E-02 -0.10631E-04 336 0.363E-02 0.518E-02
DAV: 28 -0.383498082193E+03 -0.28302E-02 -0.43045E-04 333 0.742E-02 0.321E-02
DAV: 29 -0.383499082739E+03 -0.10005E-02 -0.36377E-04 354 0.458E-02 0.346E-02
DAV: 30 -0.383499298846E+03 -0.21611E-03 -0.64472E-05 345 0.189E-02 0.356E-02
DAV: 31 -0.383499717513E+03 -0.41867E-03 -0.20603E-05 264 0.168E-02 0.333E-02
DAV: 32 -0.383500316690E+03 -0.59918E-03 -0.15078E-04 372 0.440E-02 0.281E-02
DAV: 33 -0.383500367852E+03 -0.51162E-04 -0.97558E-05 336 0.184E-02 0.331E-02
DAV: 34 -0.383500370914E+03 -0.30617E-05 -0.55594E-06 255 0.455E-03
1 F= -.38350037E+03 E0= -.38351386E+03 d E =0.404526E-01