[Wien] symmetry in case. struct file

Hong Jiang jiang at fhi-berlin.mpg.de
Mon Jan 7 20:26:50 CET 2008


Hi Peter,
This is not a problem at all. Once you run init_lapw, it will generate 
appropriate symmetry operations.
I think the reason for what you mentioned is that the main aim of 
cif2struct is to read correctly the lattice constants and site 
coordinates. 
  
Best,
  Hong

Jianfeng Zhu wrote:
> Hi there,
>  
> After I constructed case.struct file from crystal data case.cif file, 
> it always says that "0 SYMMETRY OPERATIONS" at the end no matter what 
> space group it is. Is this right? If not, how to find out what the 
> symmetry operations are? Please help me out. Thank you.
>  
> Peter
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 Dr Hong Jiang
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 Fritz-Haber-Institut der MPG    + Fax: ++49-30-8413 4701 
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