gVallverdu / bandstructureplots

Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.
MIT License
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Energy Range Problem #12

Closed abduljalils closed 6 years ago

abduljalils commented 6 years ago

Dear Users I want to plot bandstructure and DOS in the specific range. I have changed the value code as given below,but it does not effect on plot,Secondly I also want to delete the gap between DOS and Bandstructure diagram.please suggest solution. Thanks in Advance

emin =5. 
emax =-5.
for spin in bands.bands.keys():
    for b in range(bands.nb_bands):
        emin = min(emin, min(bands.bands[spin][b]))
        emax = max(emax, max(bands.bands[spin][b]))

emin -= bands.efermi + 1
emax -= bands.efermi - 1

ax1.set_ylim(emin, emax)
ax2.set_ylim(emin, emax)

image

gVallverdu commented 6 years ago

Dear Abdul Actually, the code try to determine emin and emax as you can see in the lines you wrote in your comment. If you want to manually define the energy range, comment or remove the line and put your own values.

abduljalils commented 6 years ago

got,thank you.How can we get help other modules of pymatgen .i want to calculate polarization and thermoelectric properties using boltztrap.

ABDUL JALILLecturerDepartment of Physics00923315192550,0519057214 *Allama Iqbal Open university,* Islamabad Pakistan. http://www.aiou.edu.pk/ http://www.aiou.edu.pk/

On Wed, May 16, 2018 at 11:13 PM, Germain Salvato Vallverdu < notifications@github.com> wrote:

Dear Abdul Actually, the code try to determine emin and emax as you can see in the lines you wrote in your comment. If you want to manually define the energy range, comment or remove the line and put your own values.

— You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub https://github.com/gVallverdu/bandstructureplots/issues/12#issuecomment-389555543, or mute the thread https://github.com/notifications/unsubscribe-auth/AScjK7bH2BaW-enN0S3a_QtOwytOXXNBks5tzEIFgaJpZM4T--kd .

abduljalils commented 6 years ago

Thank excellent code!everything is looking fine but please how can we change the position of fancy box? I want to draw at to position.Also wants to change text style.

ABDUL JALILLecturerDepartment of Physics00923315192550,0519057214 *Allama Iqbal Open university,* Islamabad Pakistan. http://www.aiou.edu.pk/ http://www.aiou.edu.pk/

On Thu, May 17, 2018 at 4:04 PM, Abdul Jalil jalilawan@gmail.com wrote:

got,thank you.How can we get help other modules of pymatgen .i want to calculate polarization and thermoelectric properties using boltztrap.

ABDUL JALILLecturerDepartment of Physics00923315192550,0519057214 *Allama Iqbal Open university,* Islamabad Pakistan. http://www.aiou.edu.pk/ http://www.aiou.edu.pk/

On Wed, May 16, 2018 at 11:13 PM, Germain Salvato Vallverdu < notifications@github.com> wrote:

Dear Abdul Actually, the code try to determine emin and emax as you can see in the lines you wrote in your comment. If you want to manually define the energy range, comment or remove the line and put your own values.

— You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub https://github.com/gVallverdu/bandstructureplots/issues/12#issuecomment-389555543, or mute the thread https://github.com/notifications/unsubscribe-auth/AScjK7bH2BaW-enN0S3a_QtOwytOXXNBks5tzEIFgaJpZM4T--kd .

abduljalils commented 6 years ago

Sorry forget to mention, its nanotube the calculated bandstructure is along(GAMMA to Z) how can i remove the x and M lines?

ABDUL JALILLecturerDepartment of Physics00923315192550,0519057214 *Allama Iqbal Open university,* Islamabad Pakistan. http://www.aiou.edu.pk/ http://www.aiou.edu.pk/

On Thu, May 17, 2018 at 5:13 PM, Abdul Jalil jalilawan@gmail.com wrote:

Thank excellent code!everything is looking fine but please how can we change the position of fancy box? I want to draw at to position.Also wants to change text style.

ABDUL JALILLecturerDepartment of Physics00923315192550,0519057214 *Allama Iqbal Open university,* Islamabad Pakistan. http://www.aiou.edu.pk/ http://www.aiou.edu.pk/

On Thu, May 17, 2018 at 4:04 PM, Abdul Jalil jalilawan@gmail.com wrote:

got,thank you.How can we get help other modules of pymatgen .i want to calculate polarization and thermoelectric properties using boltztrap.

ABDUL JALILLecturerDepartment of Physics00923315192550,0519057214 *Allama Iqbal Open university,* Islamabad Pakistan. http://www.aiou.edu.pk/ http://www.aiou.edu.pk/

On Wed, May 16, 2018 at 11:13 PM, Germain Salvato Vallverdu < notifications@github.com> wrote:

Dear Abdul Actually, the code try to determine emin and emax as you can see in the lines you wrote in your comment. If you want to manually define the energy range, comment or remove the line and put your own values.

— You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub https://github.com/gVallverdu/bandstructureplots/issues/12#issuecomment-389555543, or mute the thread https://github.com/notifications/unsubscribe-auth/AScjK7bH2BaW-enN0S3a_QtOwytOXXNBks5tzEIFgaJpZM4T--kd .