urgent help

Total energy, geometry optimization, DFT+U, spin....

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ahmad
Posts: 9
Joined: Fri Jun 22, 2012 8:03 am

urgent help

Post by ahmad » Sun Jun 24, 2012 9:12 am

I'm biginner in ABINIT
I want to know what's the use of shiftk in ABinit?
Please GUIDE me

kengel
Posts: 28
Joined: Tue May 08, 2012 1:02 am
Location: Madison, WI, USA
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Re: urgent help

Post by kengel » Mon Jun 25, 2012 5:38 pm

Dear ahmad,

Here is a description of the shiftk paramter: http://www.abinit.org/documentation/hel ... tml#shiftk. It has to do with how the k-points are sampled in reciprical space. In general, you can find documention about any ABINIT parameter by clicking "Input variables" on the ABINIT home page. Does that answer your question?

If you are just beginning to use ABINIT, you might find it helpful to go through the tutorials found here: http://www.abinit.org/documentation/hel ... lcome.html

Regards,
Kale

ahmad
Posts: 9
Joined: Fri Jun 22, 2012 8:03 am

Re: urgent help

Post by ahmad » Wed Jun 27, 2012 6:20 am

thanks kale

ljludwig
Posts: 77
Joined: Fri Jun 08, 2012 5:19 am

Re: urgent help

Post by ljludwig » Fri Jun 29, 2012 12:06 am

Hello, after a problem is solved, you may add [Solved] to the beginning of the title of your post.
Best,

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