[Pw_forum] Units for celldm(1)

Krishnendu Mukherjee krishnendu.mukherjee789 at gmail.com
Mon Jan 29 07:29:10 CET 2018


 Dear experts,

 I have developed a 3*3*3 supercell for Zr using Vesta. I find the units of
the XYZ positions of Zr is in Angstrom.

 In that case, for the pw.x input what should be the unit of celldm(1)?

Thanks,
Best regards,
Krishnendu


-- 
Dr. Krishnendu Mukherjee,

Principal Scientist,
CSIR-NML,
Jamshedpur.
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