[Wien] iterative diagonalization crashes

[katrusiat]

Dear Wien2k developers,

I have a problem with the iterative diagonalization.

I am using Wien2k version 11.1 to run an scf cycle with the switch -it1 so that full diagonalization is done in the first iteration. This worked great when my matrix size was about 40000. However, when I increased the RKM value and got 50000 basis functions, the scf run which I launched on top of the previous converged calculation crashed in the second iteration during the iterative diagonalization. This message was writtne into the lapw1.error file:

jacdavblock
dsytri: info =            1

What does this error mean and what shall I do to fix it?

Thank you very much,
Kateryna Foyevtsova