[Pw_forum] problem with neb calculation

[Lucas Fernandez Seivane]

Hi to the FORUM

Sorry about the former message, I didn't put it in context. I am
compiling espresso 4.0 on a ppc64 linux cluster, and I have a well
known problem about ZHPEV. I am able to generate a nice pw.x, that
works fine for many things but not for the example25. Also, I had a
3.2.2 binary that was able to run LDA+U calculations, but it also
fails with this example, as
 enter write_ns
U( 1) =  0.0000      U( 2) =  0.0000      U( 3) =  0.0000
alpha( 1) =  0.0000      alpha( 2) =  0.0000      alpha( 3) =  0.0000
atom  3   Tr[ns(na)]=   6.0000000
 ** On entry to ZHPEV  parameter number  1 had an illegal value

Any help would be greatly apreciated.
On Fri, May 16, 2008 at 5:34 PM, Lorenzo Paulatto <paulatto at sissa.it> wrote:
>
> On Fri, May 16, 2008 17:16, Lucas Fernandez Seivane wrote:
>>  I am trying to compile espresso 4.0 but I always fall with this
>>  problem. Do you have a make.sys for ppc970 + Linux?
>
> Dear Lucas,
> which problem?
>
> regards
>
> --
> Lorenzo Paulatto
> SISSA  &  DEMOCRITOS (Trieste)
> +39 040 3787 511
> http://people.sissa.it/~paulatto/
>
>
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