[Pw_forum] Pw_forum: memory

Stefano de Gironcoli degironc at sissa.it
Thu Apr 21 09:04:04 CEST 2005


Jaita Paul wrote:

>Dear all,
>
>When i change the total number of atoms in my unit cell from 91 to 159,
>the memory(estimated) changes from 5.2GB to 15 GB!
>the number of plane waves changes from 15,000 to 28,000.
>so the memory shud actually get doubled(roughly)..
>
>then why is the memory changing by almost 3 times?
>
because you are lucky. it should be 4 times.
you have the 2 times as many states and each is proportional to the 
volume of your cell
that is also doubled.

Stefano de Gironcoli

>
>Best regards,
>Jaita.
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