[Wien] Warning in lapw1

[David Tompsett]

Dear All,

I have recently compiled the latest Wien2k 11 release, but have come across
an unusual warning in case.output1 when running some larger cases (30 atoms
or more):

:WARN :      WARNING: Not all eigenvectors are orthogonal
 Eigenvalue clusters in eigensolver =         703        2153
0           0           0 \
          0           0           0           0           0
0           0           0   \
        0           0           0           0           0
0           0           0     \
      0           0           0           0           0
0           0           0       \
    0           0           0           0           0           0
0           0         \
  0           0           0           0           0           0
0           0           \
0           0           0
 Gap in eigensolver =  1.05489827340396041E-004  -1.0000000000000000
-1.0000000000000000    \
   -1.0000000000000000       -1.0000000000000000
-1.0000000000000000       -1.00000000000000\
00       -1.0000000000000000       -1.0000000000000000
-1.0000000000000000       -1.00000000\
00000000       -1.0000000000000000       -1.0000000000000000
-1.0000000000000000       -1.00\
00000000000000       -1.0000000000000000       -1.0000000000000000
-1.0000000000000000      \
 -1.0000000000000000       -1.0000000000000000
-1.0000000000000000       -1.0000000000000000\
       -1.0000000000000000       -1.0000000000000000
   Increase CLUSTERSIZE in SECLR4
 Seclr4(Cholesky complete (CPU)) :              17.200    112001.02 Mflops
 Seclr4(Cholesky complete (WALL)) :             17.251    111672.48 Mflops
 Seclr4(Transform to eig.problem (CPU)) :       84.490     68401.62 Mflops
 Seclr4(Transform to eig.problem (WALL)) :      85.192     67837.83 Mflops
 Seclr4(Compute eigenvalues (CPU)) :           213.210     36141.22 Mflops
 Seclr4(Compute eigenvalues (WALL)) :          213.585     36077.74 Mflops
 Seclr4(Backtransform (CPU)) :                   9.500     28964.20 Mflops

This warning appeared in the first iteration of the SCF cycle. I note that
the CLUSTERSIZE  is set to 600 in SECLR4, but don't understand why I see the
warning here. Does anyone know what the cause is? I am running using MPI
parallel over 24 cores. Will the parallelisation setup affect this cluster
size problem?

Thank you,
David Tompsett.
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