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Author Topic: a possible bug in 2014.3?  (Read 2937 times)

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Offline bubble

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a possible bug in 2014.3?
« on: September 30, 2015, 16:36 »
Hi,
   Recently, I test a spin polarized calculation (see the 1.py ). However, when i tried to plot the spin density i failed.
The problem is that there are no proper choices such as spinup+spindown, spinup-spindow etc. appear in the pannel (see 1.png), which is different from the following tutorials (http://quantumwise.com/documents/tutorials/latest/GrapheneBloch/index.html/electrondensity.spin.html),
   I want to know why. Is it a bug in 2014.3?
 Thank you in advance.
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Offline Anders Blom

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Re: a possible bug in 2014.3?
« Reply #1 on: September 30, 2015, 22:02 »
The primary difference to the tutorial is that it uses DFT and not the Huckel method. I don't think it's a bug, it's more that we never implemented a spin-dependent density in Huckel... We'll check on that.
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Offline Anders Blom

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Re: a possible bug in 2014.3?
« Reply #2 on: October 5, 2015, 15:47 »
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