[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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