Respected All,
Is there any limit in maximum no of atoms a supercell can have in abinit?
Best Regards
maximum no atom
Moderator: bguster
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david.waroquiers
- Posts: 138
- Joined: Sat Aug 15, 2009 12:45 am
Re: maximum no atom
Hello,
To my knowledge, there is no such limit but you will see that going beyond a few tens of atoms with acceptable parameters and you need large computational time to get your results (the computational time is not linear with the size of the system, at the very best, it is proportional to NlogN but usually at least N^2 depending on what you are interested in)
David
To my knowledge, there is no such limit but you will see that going beyond a few tens of atoms with acceptable parameters and you need large computational time to get your results (the computational time is not linear with the size of the system, at the very best, it is proportional to NlogN but usually at least N^2 depending on what you are interested in)
David