Specifying Unit Cell in POSTCAR

Queries about input and output files, running specific calculations, etc.


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Rad Balu
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Specifying Unit Cell in POSTCAR

#1 Post by Rad Balu » Wed Dec 28, 2005 2:09 pm

Hi everybody,

I would like to know whether it is possible to specify the unit cell in POSTCAR file using lattice constants and the angles instaed of vectors and the scaling factor. If so could someone tell me how to do it by describing the format?

Thanks in advance for your suggestions
Radhakrishnan Balu
Last edited by Rad Balu on Wed Dec 28, 2005 2:09 pm, edited 1 time in total.

Veronika
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Joined: Wed Feb 02, 2005 4:14 pm

Specifying Unit Cell in POSTCAR

#2 Post by Veronika » Mon Jan 02, 2006 3:16 pm

To my knowledge this is not possible in vasp.
Last edited by Veronika on Mon Jan 02, 2006 3:16 pm, edited 1 time in total.

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