[Pw_forum] alat and cell parameter

Dongsheng Zhang zhdsheng21 at gmail.com
Fri May 17 15:01:16 CEST 2013


Good morning everyone,

I tried to optimize a crystal structure by vc_relax, and found the cell
parameter kept changing until it is optimum. However, the value of alat is
always the same as the initial value. I think the alat value should be
linear with the cell parameter since the system is a crystal.  What is the
relationship between alat and cell parameter? Thank you for your help,

Dongsheng
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