[Pw_forum] Size of temproray files

[Paolo Giannozzi]

On Friday 27 June 2003 09:54, Sergei Lisenkov wrote:

>  I try to calculate sysyem of 124 carbon atoms on 70 CPU Alpha Linux
> machine. The code are written the 70 *.wfc files and 70 *.igk files. But
> after 10 minutes the size of *.wfc files=>7Gb. My quota is 7 Gb. Is it
> possible to reduce the size of these files? 

the size of wavefunction files is proportional to :
number of k-points*number of states*number of plane waves.
Try to reduce the number of k-points or the kinetic energy cutoff,
or the size of the supercell, or to consider only occupied states
(this is the default if the number of states is not specified)

Paolo

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Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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