[Wien] from C-1 to P-1

[umbingz at cc.UManitoba.CA]

Dear all,

I tried to transform space group of C-1 to P-1 using the following relation:

Al<-->A2 ===========> (x, y, z)+(0.5, 0.5, 0.0)

is it right?

Thanks!



引用 "B. Yanchitsky" <yan at im.imag.kiev.ua>:

> > I do not if it is related, but compiling sgroup.c I get the following
> warnings:
> > 
> > sgroup.c(711): warning #175: subscript out of range
> >         rop[0][0]=0.; rop[0][1]=1./2; rop[0][2]=1./3; rop[0][3]=2./3;
> >                                                       ^
> > 
> > sgroup.c(713): warning #175: subscript out of range
> >         rop[0][0]=0.; rop[0][1]=1./4; rop[0][2]=1./2; rop[0][3]=3./4;
> >                                                       ^
> > 
> > looking in sgroup.c, the variable rop is defined rop[48][3] which in C
> means that
> > the second index should go between 0 and 2.
> > J.
> 
> You have a friendly compiler, and the warning is for human, not a complier 
> problem. 
> Here the rop[][] array is used only as a sequence of floating numbers,
> and actually there are no problems for compiler to interpret these
> constructions, because C arrays are stored by rows (the
> Fortran convention is to store columns). 
> Sometimes similar tricks are used to avoid extra typing, for example to
> nullify
> the 2 dimensional array rop[48][3] one might do this by 2 loops 
> rop[i][j]=0, 0<=i<48, 0<=j<3, another and more economical way is single
> loop
> rop[0][j]=0, 0<=j<48*3. GNU C compiler does not produce any warnings on
> such
> construction even if -Wall flag was specified.
> 
> Regards,
> Bogdan Yanchitsky
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> 




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