Recent content by fatemehae6339
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Python Problem with coding the band structure of graphene nanoribbons
Hi, Thank you very very much for your help. I add axis option to the sort command: Ev=np.sort(Ev,axis=0) and, the result is now correct.- fatemehae6339
- Post #16
- Forum: Programming and Computer Science
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Python Problem with coding the band structure of graphene nanoribbons
Actually, when I commet this line(np.sort...), the result is much more closer to the correct answer, but still incorrect.- fatemehae6339
- Post #14
- Forum: Programming and Computer Science
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Python Problem with coding the band structure of graphene nanoribbons
I tried this way,too: for i in range(len(Kpoints)): H_tot=H00+H01*exp(-1j*Kpoints*3*a)+H01.T*exp(1j*Kpoints*3*a) Ev[:,i]=np.linalg.eigvals(H_tot) Ev=np.sort(Ev) and still the same result- fatemehae6339
- Post #12
- Forum: Programming and Computer Science
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Python Problem with coding the band structure of graphene nanoribbons
Hello again, and thank you very much that day I didn't really understand what you mean by kx=Kx. I understood yesterday and changed my code this way: for kx in Kpoints: H_tot=H00+H01*exp(-1j*kx*3*a)+H01.T*exp(1j*kx*3*a) ii=0 Ev[:,ii]=np.linalg.eigvals(H_tot) Ev=np.sort(Ev)...- fatemehae6339
- Post #11
- Forum: Programming and Computer Science
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Python Problem with coding the band structure of graphene nanoribbons
Obviously not, they're not the same. I think the problem is in the calculating of H_tot. the final matrix is different from the same matrix in Matlab. but I don't know how to correct it. The procedure is, First, I must calculate total Hamiltonian, i.e., H_tot for each kx. Then find the...- fatemehae6339
- Post #7
- Forum: Programming and Computer Science
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Python Problem with coding the band structure of graphene nanoribbons
You're right, I made a mistake there. I corrected that, but it didn't change the result- fatemehae6339
- Post #5
- Forum: Programming and Computer Science
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Python Problem with coding the band structure of graphene nanoribbons
Yeah, of course. Thank you in advance- fatemehae6339
- Post #3
- Forum: Programming and Computer Science
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Python Problem with coding the band structure of graphene nanoribbons
Hi, I have a Matlab code for calculating the band structure of graphene nanoribbon which is working fine, but I wanted to convert it to python and I've done it. I guess I made a mistake somewhere because the plot is totally wrong. Could someone check it for me, please?- fatemehae6339
- Thread
- Band Band structure Coding Graphene Structure
- Replies: 15
- Forum: Programming and Computer Science