[Pw_forum] Help about vc-relax (and Espresso 3.0)

[Konstantin Kudin]

 Sergey and others,

 Please do try all your traditional jobs with version 3.0, unless the
bugs are identified they cannot be fixed!

 Kostya


--- Sergey Lisenkov <proffess at yandex.ru> wrote:

> Dear PWscf authors/users,
> 
>  I would like to add the next comment: I "successfully reproduced"
> this errors in my vc-relax calculations using 'damp-w' algoritm. The
> one studied system has no any symmetry, but when I fully restarted
> the calculations I got the error in 
> 
> >>      from checkallsym : error #         1
> >>      not orthogonal operation
> 
> Other system has a symmetry, and after a lot of steps I got the same
> error. I am not sure, that I have this error with 2.1.5 version (I
> did a lot vc-relax calculations).
>  
>   Thanks,
>     Sergey
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