[Wien] Unusually long cpu time in lapw1

[Farshad Nejadsattari]

Dear Professor Blaha and wien2k community,

   I am working on a structure composed of Fe, Se, O, H and Li atoms, the
initialization steps for the SCF calculations proceeded without any
problem, though after almost a week of running the calculations
nonstop, the first iteration of the SCF cycle has not yet been completed,
it is still at the lapw1 stage.
   I have worked on other compounds of rather higher complexity and never
have faced this type of problem, I would truly appreciate your assistance
in resolving this issue.

   I have attached my case.struct file below and in the initialization
procedure I have used a separation energy of -6 Ry, 1000 k- points and an
rkmax of 3 because of the existence of hydrogen (I have also tried rkmax 5).

with regards,

Farshad Nejadsattari
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