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Re: [abinit-forum] how to plot band structure output


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  • From: "Raja v" <abraja.v@gmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] how to plot band structure output
  • Date: Tue, 1 Apr 2008 10:42:19 -0400
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hi,
thank u very much. i got it.
Regards,
Raja.


On Thu, Mar 27, 2008 at 4:47 PM, Min Yu <minyu.phys@gmail.com> wrote:
You can convert this file to an array with 51 kpts as x axis, 81 bands as y axis, then "gnuplot".
-Min

On Thu, Mar 27, 2008 at 11:49 AM, <abraja.v@gmail.com> wrote:
hai,
i am a new user. I am trying to plot the band structure. I have the *_EIG file. My calculation consist of 51 kpts and 80 bands. I find deficult to plot it manually.
Can u anybody help me in this regard.
My output file (*_EIG file) starts like below:
 Eigenvalues (   eV  ) for nkpt=  51  k points:
 kpt#   1, nband= 80, wtk=  1.00000, kpt=  0.5000  0.5000  0.5000 (reduced coord)
 -14.12308 -14.12308 -14.12308 -14.12308 -11.92193 -11.92193 -11.92193 -11.92193
 -6.97232  -6.97232  -6.97232  -6.97232  -5.48775  -5.48775  -5.48775  -5.48775
 -3.42273  -3.42273  -3.42273  -3.42273  -1.39167  -1.39167  -1.39167  -1.39167
  2.52792   2.52792   2.52792   2.52792   4.34552   4.34552   4.34552   4.34552
  8.51210   8.51210   8.51210   8.51210  10.51816  10.51816  10.51816  10.51816
 12.44583  12.44583  12.44583  12.44583  16.22063  16.22063  16.22063  16.22063
 17.60275  17.60275  17.60275  17.60275  19.69715  19.69715  19.69715  19.69715
 21.49342  21.49342  21.49342  21.49342  25.44978  25.44978  25.44978  25.44978
 31.67123  31.67123  31.67123  31.67123  33.11160  33.11160  33.11160  33.11160
 35.60946  35.60946  35.60946  35.60946  36.09428  36.09428  36.09428  36.09429

Regards,
abraja.




  • Re: [abinit-forum] how to plot band structure output, Raja v, 04/01/2008

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