[Q-e-developers] How to calculate projwfc.x from Car-Parrinello database?

helin h.lin2 at campus.unimib.it
Sun Mar 29 22:28:37 CEST 2015


Hello!

    I want to calculate projwfc.x from Car-Parrinello (CP) database.

    When I did CP calculation, in &CONTROL card, I gave "disk_io = high".

    But after I did projwfc.x from CP database, the density of states is 
not correct.

    Can you show me how to calculate projwfc.x from Car-Parrinello 
database?

    Thank you.

He Lin

Materials Science Department of Milano-Bicocca University
Chemistry Department of Princeton University



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