[Pw_forum] Error diis diagonalization?

Paolo Giannozzi giannozz at nest.sns.it
Wed Oct 18 17:46:01 CEST 2006


On Oct 18, 2006, at 17:30 , Nguyen Ngoc Ha wrote:

>      from iosys : error #         1
>      diis diagonalization disabled

> Using cg or david diagonalization are well!

so use them! it is easier than fixing the diis diagonaliser:
an algorithm that has a great potential for speedup, but
never worked in a satisfactory way.

Paolo




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