[Wien] QTL-B and Eigenvalues Below...

Hello again, I have been too optimistic, yesterday. The reported problem (eigenvalues below...) did indeed disappear when I modified the sphere radii and/or put deep semi-core states in the core, as reported yesterday. But when I applied the same modification to a Cu atom at a different

[Wien] compiling with mkl 10.0.3

If you have a multicore system and don't want to use mpi, 10.0.3 is better. Otherwise I saw no to negligable difference. On Tue, Jul 29, 2008 at 9:55 PM, rcais at cal3.vsnl.net.in wrote: Thanks Gerhard I thought performance would improve with the later mkl versions compared to the mkl 9.0