[Pw_forum] How to plot the 2D-charge density for a triclinic or monoclinic box

[Hongsheng Zhao]

On Monday, September 22, 2008 at 16:16, tone.kokalj at ijs.si wrote:
> On Sun, 2008-09-14 at 20:30 +0800, Hongsheng Zhao wrote:
>> Due to the pp.x program require that all of the three span vectors
>> must be orthogonal to each other, ...

> Not if you specify output_format = 5. In this case the whole unit cell
> will be used and corresponding 3D XSF file constructed (even for
> triclinic lattice). You may try to use PWgui, it provides some
> guidelines: select "XCRYSDEN's XSF format (whole unit cell)".

Thanks a lot, I've sorted it out basically now.

Sincerely yours,
-- 
Hongsheng Zhao <zhaohscas at yahoo.com.cn> 
Xinjiang Technical Institute of Physics and Chemistry
Chinese Academy of Sciences 
GnuPG DSA: 0xD108493
2008-9-22