[Pw_forum] error information

[Eyvaz Isaev]

Dear Zhenyu,

The error was discussed early in the forum. 
It means that the diagonalization procedure was not
converged within machine-specific precision.
You can slightly change your input file (Ecut and
Ecutrho) and the error should disappear.

Regards,
Eyvaz Isaev, 
Theoretical Physics Department
Moscow State Intitute of Steel and Alloys
 
--- Zhenyu Li <zyli at sina.com> wrote:
> Dear PWSCF users
> 
> 	When using PWSCF 1.2.0 do some geometry
> optimization,
> I got the following error message:
>
-------------------------------------------------------------------------------------
>      iteration #  1     ecut=    24.00 ryd    
> beta=0.30
>      Davidson diagonalization with overlap
> 
> 
>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from cdiaghg : error #       730
>      info =/= 0
> 
>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      stopping ...
>
--------------------------------------------------------------------------------------
> What's the problem of my calculations?
> 
> Best wishes
> Zhenyu LI
> 
> 
> 
> =================================================
>    Zhenyu LI
>    Ph.D. Candidate
>    Open Laboratory of Bond Selective Chemistry,
>    University of Science and Technology of China,
>    Hefei, Anhui, 230026,
>    People's Republic of China
>    Tel.: 86-551-3603748,3603418
>    Fax.: 86-551-3602969
>    http://www.bsc.ustc.edu.cn/~zyli/whoami/
>
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> 
> 
> 
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