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General Questions and Answers / Re: ** On entry to DSTEDC, parameter number 8 had an illegal value
« on: February 15, 2023, 16:00 »
Hi Alireza,
Thanks for the detailed comments.
I see that the flexibility in controlling which solver to be used is not present in Bandstructure currently.
We are currently implementing/exposing iterative solvers in Bandstructure - but you will first be able to use that in the next release.
In the next release, it should be possible to perform bandstructure simulations on millions of atoms with iterative solvers (avoiding calculating all the valance bands).
For the present release, the only solution is to optimize for memory and reduce the number of k-points.
Tue
Thanks for the detailed comments.
I see that the flexibility in controlling which solver to be used is not present in Bandstructure currently.
We are currently implementing/exposing iterative solvers in Bandstructure - but you will first be able to use that in the next release.
In the next release, it should be possible to perform bandstructure simulations on millions of atoms with iterative solvers (avoiding calculating all the valance bands).
For the present release, the only solution is to optimize for memory and reduce the number of k-points.
Tue