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Dear Admin,
During the calculation i faced this problem. Could you help me please?


4 F= -.27411522E+03 E0= -.27410593E+03 d E =0.208778E+01 mag= 4.3339
curvature: -0.49 expect dE=-0.131E+01 dE for cont linesearch -0.460E-01
ZBRENT: bisectioning
opt : 0.4875 next Energy= -279.506652 (dE=-0.330E+01)
bond charge predicted
N E dE d eps ncg rms rms(c)
DAV: 1 -0.235781295821E+03 0.36233E+02 -0.23921E+03 10996 0.594E+01 0.263E+01
RMM: 2 -0.285713815318E+03 -0.49933E+02 -0.25177E+02 10498 0.327E+01 0.843E+01
RMM: 3 -0.286482114371E+03 -0.76830E+00 -0.16039E+01 10625 0.107E+01 0.673E+01
RMM: 4 -0.274980135977E+03 0.11502E+02 -0.79252E+00 10005 0.770E+00 0.400E+01
RMM: 5 -0.270477328329E+03 0.45028E+01 -0.67752E+00 10168 0.524E+00 0.183E+01
RMM: 6 -0.272684120272E+03 -0.22068E+01 -0.24277E+00 10191 0.286E+00 0.122E+01
RMM: 7 -0.273416493839E+03 -0.73237E+00 -0.39426E-01 10261 0.119E+00 0.118E+01
RMM: 8 -0.274572985592E+03 -0.11565E+01 -0.40289E-01 10000 0.122E+00 0.126E+01
RMM: 9 -0.275039354179E+03 -0.46637E+00 -0.27548E-01 10105 0.891E-01 0.144E+01
RMM: 10 -0.275083947890E+03 -0.44594E-01 -0.99103E-02 10119 0.638E-01 0.163E+01
RMM: 11 -0.275232358947E+03 -0.14841E+00 -0.30751E-02 10232 0.351E-01 0.180E+01
RMM: 12 -0.275334464923E+03 -0.10211E+00 -0.39612E-02 10079 0.317E-01 0.199E+01
RMM: 13 -0.275392161867E+03 -0.57697E-01 -0.17959E-02 10523 0.252E-01 0.214E+01
RMM: 14 -0.275369315183E+03 0.22847E-01 -0.83195E-04 7645 0.796E-02 0.206E+01
{ 4, 0}: On entry to { 2, 1}: On entry to
PZSTEIN parameter number 4 had an illegal value

PZSTEIN{ 3, 0}: On entry to parameter number 4 had an illegal value
{ 0, 0}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 3, 1}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 1, 2}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 4, 3}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 2, 0}: On entry to
PZSTEI{ 0, 1}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 1, 1}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 0, 2}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 2, 2}: On entry to
PZSTEIN parameter number 4 had an illegal value

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