[CPMD-list] Problems on running cpmd2cube!!

[Hakan Hugosson]

Du Aijun wrote:
> 
> Dear all,
> 
> I met the following problems when running cpmd2cube:
> 
> .read input file ... done
> I think you stored a density (sum^2 =  0.12959468E-02)
> ERROR in file DENSITY
> Wannier-functions stored as density, you can not
>    create a cube-file with the wavefunction
> FORTRAN STOP
> 
> Could anyone tell me how to how to choose the proper option? Many thanks!
> 
> With regards,
> Aijun Du
> 
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Dear Aijun,

It sounds as though you have forgot to put the flag -dens. If you have a
DENSITY file:
 cpmd2cube.x -dens DENSITY

should work (works when I try it).

Yours,
	/haakan
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Dr. Hakan Wilhelm Hugosson  ||  work : +41 (0)21-6930322
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