[xcrysden] please I need a help

[Giovanni Cantele]

not sure but I think that xyz file format requires a blank line after the first one
(the one containing the number of atoms).

Giovanni

On Feb 10, 2010, at 12:19 PM, Erwin Rossen wrote:

> Hello!
> 
> I have an xyz file which starts with:
> 
>     52 # atoms  within limits=cell_PL
> Ag              0.000000    0.000000    0.000000
> Ag              1.467250   -0.847120    2.396000
> Ag             -1.467250   -0.847120    2.396000
> Ag              0.000000    1.694230    2.396000
> Ag             -1.467250    0.847110    4.792010
> Ag              0.000000   -1.694230    4.792010
> ....
> 
> XCrySDen does not open this. How should I change the header such that
> XCrySDen can open it?
> 
> Best,
> Erwin Rossen
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--

Dr. Giovanni Cantele
Coherentia CNR-INFM and Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario di Monte S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
Phone: +39 081 676910
Fax:   +39 081 676346
E-mail: giovanni.cantele at cnr.it
              giovanni.cantele at na.infn.it
Web: http://people.na.infn.it/~cantele
Research Group: http://www.nanomat.unina.it
Skype contact: giocan74

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