[Pw_forum] What kind of calculation needs wavefunction files created by pw.x ?

WF kalamaillist at gmail.com
Mon Nov 14 16:49:32 CET 2011


Hello everyone,

         From what I haved learned, pw.x generates wavefunction files under
temporary directory, and can be collected to output directory by options
wf_collect = .true. . It can be controlled by disk_io option to decrease the
I/O. However I don't really know whether should I keep this files to do
later calculation like DOS and bands or not. What kind of calculation needs
wavefunction files created by pw.x ?

         Thanks.

 

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Wu F,

College of Chemistry and Molecular Engineering,

Peking University.

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