5 F= -.17362695E+03 E0= -.17360184E+03 d E =-.684765E+02 mag= 5.4066
curvature: -0.05 expect dE=-0.236E+02 dE for cont linesearch -0.182E+00
trial: gam= 0.24813 g(F)= 0.484E+03 g(S)= 0.000E+00 ort =-0.930E+02 (trialstep = 0.820E+00)
search vector abs. value= 0.581E+03
bond charge predicted
N E dE d eps ncg rms rms(c)
DAV: 1 0.424270870541E+03 0.59569E+03 -0.13363E+04 19096 0.354E+02 0.255E+02
RMM: 2 0.264780234090E+03 -0.15949E+03 -0.19749E+03 17929 0.123E+02 0.279E+02
RMM: 3 0.263469800911E+03 -0.13104E+01 -0.17768E+02 18879 0.300E+01 0.398E+02
RMM: 4 0.244105108749E+03 -0.19365E+02 -0.10582E+02 18828 0.173E+01 0.490E+02
{ 0, 3}: On entry to { 3, 3}: On entry to { 1, 0}: On entry to { 2, 0}: On entry to { 5, 0}: On entry to { 0, 1}: On entry to { 1, 1}: On entry to { 5, 2}: On entry to { 0, 0}: On entry to { 4, 0}: On entry to { 5, 1}: On entry to { 2, 1}: On entry to { 3, 0}: On entry to { 3, 1}: On entry to { 4, 1}: On entry to { 2, 2}: On entry to { 3, 2}: On entry to { 4, 2}: On entry to { 1, 3}: On entry to { 2, 3}: On entry to { 4, 3}: On entry to { 5, 3}: On entry to { 0, 2}: On entry to { 1, 2}: On entry to
PZSTEIN parameter number 4 had an illegal value
PZSTEIN parameter number 4 had an illegal value
PZSTEIN parameter number 4 had an illegal value
PZSTEIN parameter number 4 had an illegal value
PZSTEIN parameter number 4 had an illegal value
PZSTEIN parameter number 4 had an illegal value
PZSTEIN parameter number 4 had an illegal value
PZSTEIN parameter number 4 had an illegal value
PZUNMTR parameter number 5 had an illegal value
{ 3, 3}: On entry to
PZUNMTR parameter number 5 had an illegal value
{ 4, 3}: On entry to
PZUNMTR parameter number 5 had an illegal value
{ 5, 3}: On entry to
PZUNMTR parameter number 5 had an illegal value
PZUNMTR parameter number 5 had an illegal value
GSD%LWWORK 1188 6340 600 100
ERROR in subspace rotation PSSYEVX: not enough eigenvalues found 1206
100
GSD%LWWORK 1188 6340 600 100
ERROR in subspace rotation PSSYEVX: not enough eigenvalues found 1206
100
GSD%LWWORK 1188 6340 600 100
ERROR in subspace rotation PSSYEVX: not enough eigenvalues found 1206
100
Dear admin please help me..
ERROR in subspace rotation PSSYEVX: not enough eigenvalues f
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Re: ERROR in subspace rotation PSSYEVX: not enough eigenvalu
Are you sure your POSCAR is OK?
You have positive total energies.
You have positive total energies.