iterations/neb0_image04_iter28_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 0.144937253106E+04 0.14494E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.225132696497E+03 -0.12242E+04 -0.11494E+04 435 0.163E+02
DAV: 3 -0.362429007912E+03 -0.58756E+03 -0.58426E+03 345 0.114E+02
DAV: 4 -0.433308736436E+03 -0.70880E+02 -0.70619E+02 318 0.509E+01
DAV: 5 -0.434895558117E+03 -0.15868E+01 -0.15844E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389026321071E+03 0.45869E+02 -0.14759E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385577960660E+03 0.34484E+01 -0.13544E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384116962513E+03 0.14610E+01 -0.22781E+00 327 0.387E+00 0.436E+00
DAV: 9 -0.383575157750E+03 0.54180E+00 -0.16367E+00 327 0.242E+00 0.130E+00
DAV: 10 -0.383495607040E+03 0.79551E-01 -0.16982E-01 336 0.112E+00 0.903E-01
DAV: 11 -0.383461320925E+03 0.34286E-01 -0.81396E-02 345 0.730E-01 0.621E-01
DAV: 12 -0.383443893157E+03 0.17428E-01 -0.19332E-02 327 0.500E-01 0.658E-01
DAV: 13 -0.383437015808E+03 0.68773E-02 -0.97579E-02 345 0.358E-01 0.657E-01
DAV: 14 -0.383431416789E+03 0.55990E-02 -0.96814E-02 336 0.481E-01 0.732E-01
DAV: 15 -0.383424738916E+03 0.66779E-02 -0.32943E-02 327 0.363E-01 0.288E-01
DAV: 16 -0.383428691443E+03 -0.39525E-02 -0.66733E-03 300 0.240E-01 0.162E-01
DAV: 17 -0.383439925639E+03 -0.11234E-01 -0.80871E-03 318 0.206E-01 0.242E-01
DAV: 18 -0.383446093774E+03 -0.61681E-02 -0.34512E-03 372 0.163E-01 0.125E-01
DAV: 19 -0.383451409145E+03 -0.53154E-02 -0.15548E-03 336 0.114E-01 0.111E-01
DAV: 20 -0.383457305293E+03 -0.58961E-02 -0.12069E-03 327 0.826E-02 0.120E-01
DAV: 21 -0.383459402094E+03 -0.20968E-02 -0.20648E-03 336 0.779E-02 0.517E-02
DAV: 22 -0.383464004665E+03 -0.46026E-02 -0.40506E-04 309 0.533E-02 0.533E-02
DAV: 23 -0.383468078595E+03 -0.40739E-02 -0.18574E-04 309 0.417E-02 0.322E-02
DAV: 24 -0.383472971505E+03 -0.48929E-02 -0.47912E-04 318 0.431E-02 0.453E-02
DAV: 25 -0.383474191821E+03 -0.12203E-02 -0.38911E-04 327 0.317E-02 0.203E-02
DAV: 26 -0.383474764634E+03 -0.57281E-03 -0.26968E-05 291 0.142E-02 0.981E-03
DAV: 27 -0.383475774728E+03 -0.10101E-02 -0.63778E-05 309 0.141E-02 0.707E-03
DAV: 28 -0.383476031942E+03 -0.25721E-03 -0.10717E-05 246 0.631E-03 0.452E-03
DAV: 29 -0.383476247463E+03 -0.21552E-03 -0.82401E-06 210 0.529E-03 0.358E-03
DAV: 30 -0.383476342056E+03 -0.94593E-04 -0.43101E-06 228 0.391E-03 0.170E-03
DAV: 31 -0.383476406204E+03 -0.64148E-04 -0.28186E-06 228 0.301E-03 0.189E-03
DAV: 32 -0.383476441266E+03 -0.35062E-04 -0.12335E-06 228 0.220E-03 0.134E-03
DAV: 33 -0.383476453115E+03 -0.11849E-04 -0.50859E-07 228 0.142E-03 0.609E-04
DAV: 34 -0.383476464842E+03 -0.11726E-04 -0.48711E-07 201 0.128E-03 0.420E-04
DAV: 35 -0.383476468107E+03 -0.32658E-05 -0.17511E-07 228 0.771E-04
1 F= -.38347647E+03 E0= -.38349326E+03 d E =0.503762E-01