[Pw_forum] how to specify atoms in a plane by XCrySDen?

Tone Kokalj tone.kokalj at ijs.si
Thu Jun 9 11:22:29 CEST 2005


On Wed, 2005-06-08 at 19:28 -0400, Yosuke Kanai wrote:
> Dear Tone.
> 
> While I was following the procedure you described below from axsf file,
> I encountered an error when I was saving it as WIEN struct file, saying
> 
> ERROR while executing "nn" program;
> ERROR Code: please specify nn-bondlength factor: (usually=2)
> 
> I have not been able to figure this out.
> Do you know what I must to do in this case ?

Please send me your xasf file. I will see what is going on.

Regards, Tone




More information about the users mailing list