[Pw_forum] q2r.x error.

[Eyvaz Isaev]

Dear Yanling,

Hopefully you paid attention that in a2Fq2r.51 there
are lots of stars, meaning that something went in a
wrong way. That is why q2r.x complained.

So, look at closer to your input files and then try
restart the job. It might be that some temporary files
turned out to be corrupted. 

Bests,
Eyvaz.  

--- Li yan-ling <ylli at theory.issp.ac.cn> wrote:

 
> ---------------------------------------------------
>   By checking the output file 'q2r.out', I know the
> errors from the q2r.x
> program. For example,
> .........................
> .........................
> Dynamical  Matrix in cartesian axes
> 
>      q = (    0.000000000  -0.288675135 
> -0.236569803 )
> 
>   1  1
>  89.36769217  0.00000000    0.00000000  0.00000000  
>  0.00000000  0.00000000
>   0.00000000  0.00000000   89.39381871  0.00000000  
> -0.01004736  0.00000000
>   0.00000000  0.00000000   -0.01004736  0.00000000  
> 89.38396315  0.00000000
>   1  2
>   0.00000000************    0.00000000  0.00000000  
>  0.00000000  0.00000000
>   0.00000000  0.00000000    0.00000000************  
>  0.00000000 -0.00300097
>   0.00000000  0.00000000    0.00000000 -0.00300097  
>  0.00000000************
>   1  3
>  44.65732502-50.41210189    0.00000000  0.00000000  
>  0.00000000  0.00000000
>   0.00000000  0.00000000   44.65839582-50.41300456  
> 50.40129204-44.66012171
>   0.00000000  0.00000000   50.39697063-44.65959080  
> 44.66166361-50.41463893
>   1  4
>  50.41210182-44.65732510    0.00000000  0.00000000  
>  0.00000000  0.00000000
>   0.00000000  0.00000000   50.41300449-44.65839590  
> 44.66012163-50.40129211
>   0.00000000  0.00000000   44.65959072-50.39697070  
> 50.41463886-44.66166369
>   2  1
>   0.00000000************    0.00000000  0.00000000  
>  0.00000000  0.00000000
>   0.00000000  0.00000000    0.00000000************  
>  0.00000000  0.00300097
>   0.00000000  0.00000000    0.00000000  0.00300097  
> 0.00000000************
> ..........................
> ......................
> 
>   That is to say, there are uncorrect data in
> a2Fq2r.51. I want to know
> the reason that results in these errors. I'm looking
> forward to solving
> it with your help.
> 
>   Thanks in advance.
> 
> 
> Yanling Li.
> 
> 
> 
> 
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> 


-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, 
IFM, Linkoping University, Sweden 
Condensed Matter Theory Group, Uppsala University, Sweden 
Eyvaz.Isaev at fysik.uu.se, eyvaz_isaev at yahoo.com


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