[Wien] iterative diagonalization crashes

2012-01-08 Thread 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 4. However, when I increased the

[Wien] iterative diagonalization crashes

2012-01-08 Thread Gavin Abo
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