Is it possible to dump CHG or CHGCAR file, which corresponds only to certain energy interval (E0-dE;E0+dE)? Let's say I have DOS and I want to visualize where charge density of certain DOS peak (E0) is located in 3D space. How can I do that?
Thanks in advance.
CHGCAR for Energy Interval
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Eugene
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CHGCAR for Energy Interval
Last edited by Eugene on Fri Jul 27, 2007 8:32 pm, edited 1 time in total.
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admin
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CHGCAR for Energy Interval
yes: please have a look to the chapter " band decomposed charge density ' in the online handbook.
In particular, you will have to set the following parameters in INCAR:
LPARD=.True.; NBMOD=-2; EINT=.....
In particular, you will have to set the following parameters in INCAR:
LPARD=.True.; NBMOD=-2; EINT=.....
Last edited by admin on Mon Jul 30, 2007 9:57 am, edited 1 time in total.