[Wien] how to edit Case.spaghetti_ene

[Peter Blaha]

Nobody can help without details.

Eventually play with invers and/or flip=1

?? schrieb:
> I have tried many ways,but I cannot know why.Please someone knows tell 
> where I was wrong.
> 
> The problem is:
> When I run 'spagh2rho' ,it displayed 'Please inset    
> meshx,meshy,xlen,ylen,nxint,nyint,invert '.But I did insert a line in 
> the file 'Case.spaghetti_ene' at the top.The line I inserted was like :
> '40,40,1.5280,1.5280,79,79,0,0  
> #NX,NY,x-len,y-len,NXinter,NYinter,Invers,Flip'.I thought it could be 
> wrong,but I don't know where is it.
> 
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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