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Band Structure plot
Posted: Wed Dec 18, 2013 2:58 pm
by firstime
Good day
I have windows 7 and I work with abinit -7.2.1 version. I want to plot the band structure ( like in tutorial 3) but I can't get the .dbs file.
help me please.
regards
Re: Band Structure plot
Posted: Thu Dec 19, 2013 9:38 am
by ilukacevic
Hi!
Could you, please, specify where exactly you read that you need to get a .dbs file?
Igor
Re: Band Structure plot
Posted: Thu Dec 19, 2013 3:53 pm
by firstime
Hi,
I found that in this manual. after that i download python and numpy but till now i can't produce the .dbs file.
regards
Re: Band Structure plot
Posted: Thu Dec 19, 2013 4:02 pm
by firstime
Hi again,
if there any other method to plot the band structure i will be very appreciate
thank's for your reply
Re: Band Structure plot
Posted: Mon Dec 23, 2013 8:17 am
by ilukacevic
Hi!
I never used the method you mention. I usually take the EIG file and format it using readband.py script. It formats EIG file so that one has band energies in columns. That way one can plot the band structure even using Office (Spreadsheet or Calc). I use Xmgrace for plotting.
Best regards,
Igor
Re: Band Structure plot
Posted: Mon Dec 23, 2013 12:02 pm
by firstime
Hi,
could you tell me , please, how can i formated the EIGfile using readband.py script
regards
Re: Band Structure plot
Posted: Mon Dec 23, 2013 12:46 pm
by ilukacevic
Unfortunately, I don't know how to do it in Windows, because I use linux.
Re: Band Structure plot
Posted: Sun Dec 29, 2013 9:16 am
by firstime
Hi users,
help me, please, to plot bandstructure in windows be cause i am Stuck.
Re: Band Structure plot
Posted: Sun Mar 09, 2014 10:52 pm
by kazem.manzoor
ilukacevic wrote:Hi!
I never used the method you mention. I usually take the EIG file and format it using readband.py script. It formats EIG file so that one has band energies in columns. That way one can plot the band structure even using Office (Spreadsheet or Calc). I use Xmgrace for plotting.
Best regards,
Igor
hi
i use linux
can i have your readband.py script?
i copy band data of out file in file name's " eigenenergies" and use
grep -v wtk eigenenergies | grep -n '.' > data
at end use gnuplot for plot.
but i don't know how define direction for circuit in K space!!
Re: Band Structure plot
Posted: Tue Mar 11, 2014 8:14 am
by ilukacevic
Hi!
readband.py script won't help you define directions through Brillouin zone. These are defined in your input file. The best case is when you already have a band structure plot to compare to. Then you just use the same directions. Otherwise you have to choose the directions by yourself. Thi website can help you a lot
http://www.cryst.ehu.es/Best regards,
Igor
Re: Band Structure plot
Posted: Tue Mar 11, 2014 1:00 pm
by kazem.manzoor
ok
thanks