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For studying topological material, I often try to calculate 2D fermi surface. Fermisurfer is so useful in this situation.
I have some question.
I calculated the Fermi surface by creating a slab structure in the [100] direction. I am comparing the 2D Fermi surface of this slab structure with the [100] 2D Fermi surface in the bulk structure.
As shown in the figure below, the bz_line.dat is drawn, with the top image representing the calculation results of the slab and the bottom image showing the calculation results of the bulk structure.
First question: Does the bz_line.dat drawn in the slab results represents the bulk 2D BZ?
Second question: If so, why do the ky ranges differ between the bulk calculation results and the 2D bulk BZ results from the slab calculations? (The kz range matches perfectly in both figures.)
Below, I have attached pictures for better understanding.
Could you help identify what the problem is?
Thanks,
Best,
SB
The text was updated successfully, but these errors were encountered:
Dear Developer,
For studying topological material, I often try to calculate 2D fermi surface. Fermisurfer is so useful in this situation.
I have some question.
I calculated the Fermi surface by creating a slab structure in the [100] direction. I am comparing the 2D Fermi surface of this slab structure with the [100] 2D Fermi surface in the bulk structure.
As shown in the figure below, the bz_line.dat is drawn, with the top image representing the calculation results of the slab and the bottom image showing the calculation results of the bulk structure.
![problem](https://private-user-images.githubusercontent.com/161274271/355341981-a04ec568-f9d5-4184-890d-5c07de9812a6.png?jwt=eyJhbGciOiJIUzI1NiIsInR5cCI6IkpXVCJ9.eyJpc3MiOiJnaXRodWIuY29tIiwiYXVkIjoicmF3LmdpdGh1YnVzZXJjb250ZW50LmNvbSIsImtleSI6ImtleTUiLCJleHAiOjE3MzkzNTUxNzksIm5iZiI6MTczOTM1NDg3OSwicGF0aCI6Ii8xNjEyNzQyNzEvMzU1MzQxOTgxLWEwNGVjNTY4LWY5ZDUtNDE4NC04OTBkLTVjMDdkZTk4MTJhNi5wbmc_WC1BbXotQWxnb3JpdGhtPUFXUzQtSE1BQy1TSEEyNTYmWC1BbXotQ3JlZGVudGlhbD1BS0lBVkNPRFlMU0E1M1BRSzRaQSUyRjIwMjUwMjEyJTJGdXMtZWFzdC0xJTJGczMlMkZhd3M0X3JlcXVlc3QmWC1BbXotRGF0ZT0yMDI1MDIxMlQxMDA3NTlaJlgtQW16LUV4cGlyZXM9MzAwJlgtQW16LVNpZ25hdHVyZT05MzYzY2UxZTc3MjU2MTAyODU1NTQ1MmQ5OGM5M2U1ZmQ4MGQ2YzI1NDgxYmVjZWI2MTIzYmM2N2ZjNDYzYzJkJlgtQW16LVNpZ25lZEhlYWRlcnM9aG9zdCJ9.zNtCNHs1su0BjMs1W2pnfFWeO9OJ44Q4TKmN_W2qN4Y)
First question: Does the bz_line.dat drawn in the slab results represents the bulk 2D BZ?
Second question: If so, why do the ky ranges differ between the bulk calculation results and the 2D bulk BZ results from the slab calculations? (The kz range matches perfectly in both figures.)
Below, I have attached pictures for better understanding.
![schmetic](https://private-user-images.githubusercontent.com/161274271/355345255-f23eeb6d-654d-41c8-bbe8-37ba3469ec04.png?jwt=eyJhbGciOiJIUzI1NiIsInR5cCI6IkpXVCJ9.eyJpc3MiOiJnaXRodWIuY29tIiwiYXVkIjoicmF3LmdpdGh1YnVzZXJjb250ZW50LmNvbSIsImtleSI6ImtleTUiLCJleHAiOjE3MzkzNTUxNzksIm5iZiI6MTczOTM1NDg3OSwicGF0aCI6Ii8xNjEyNzQyNzEvMzU1MzQ1MjU1LWYyM2VlYjZkLTY1NGQtNDFjOC1iYmU4LTM3YmEzNDY5ZWMwNC5wbmc_WC1BbXotQWxnb3JpdGhtPUFXUzQtSE1BQy1TSEEyNTYmWC1BbXotQ3JlZGVudGlhbD1BS0lBVkNPRFlMU0E1M1BRSzRaQSUyRjIwMjUwMjEyJTJGdXMtZWFzdC0xJTJGczMlMkZhd3M0X3JlcXVlc3QmWC1BbXotRGF0ZT0yMDI1MDIxMlQxMDA3NTlaJlgtQW16LUV4cGlyZXM9MzAwJlgtQW16LVNpZ25hdHVyZT0wOTBiOTQyZTVkOTllMDUwNDI0YTU1MDkwNDBhNWY5YWQ5Zjk2ZDNiMDIwZjc3YjU1YzRhZjM2ZDQ4NGEwYTFiJlgtQW16LVNpZ25lZEhlYWRlcnM9aG9zdCJ9.TsUqhu8f-zc5PUgZw9MKMcD5W6T3s9OlcVQpY1-LL8M)
![fermisurface](https://private-user-images.githubusercontent.com/161274271/355345968-b1d9a3a7-9e43-495a-9df7-f91f28141fb4.png?jwt=eyJhbGciOiJIUzI1NiIsInR5cCI6IkpXVCJ9.eyJpc3MiOiJnaXRodWIuY29tIiwiYXVkIjoicmF3LmdpdGh1YnVzZXJjb250ZW50LmNvbSIsImtleSI6ImtleTUiLCJleHAiOjE3MzkzNTUxNzksIm5iZiI6MTczOTM1NDg3OSwicGF0aCI6Ii8xNjEyNzQyNzEvMzU1MzQ1OTY4LWIxZDlhM2E3LTllNDMtNDk1YS05ZGY3LWY5MWYyODE0MWZiNC5wbmc_WC1BbXotQWxnb3JpdGhtPUFXUzQtSE1BQy1TSEEyNTYmWC1BbXotQ3JlZGVudGlhbD1BS0lBVkNPRFlMU0E1M1BRSzRaQSUyRjIwMjUwMjEyJTJGdXMtZWFzdC0xJTJGczMlMkZhd3M0X3JlcXVlc3QmWC1BbXotRGF0ZT0yMDI1MDIxMlQxMDA3NTlaJlgtQW16LUV4cGlyZXM9MzAwJlgtQW16LVNpZ25hdHVyZT1mOWQxNjFkZWRhMjRiMjJiNTg0ZDdlMmFmOTEwNDZhZDM4YzUyNjE0YTlhY2VlZjFlZWFmNjk0YjBiN2I3YzkzJlgtQW16LVNpZ25lZEhlYWRlcnM9aG9zdCJ9.neiHJWLEV6hOXmNPFvXfGAXcVY6dTUpqHdxF8yd0CFE)
![cell parameters](https://private-user-images.githubusercontent.com/161274271/355346492-4646d5b6-a910-4065-8f36-8aa03589480e.png?jwt=eyJhbGciOiJIUzI1NiIsInR5cCI6IkpXVCJ9.eyJpc3MiOiJnaXRodWIuY29tIiwiYXVkIjoicmF3LmdpdGh1YnVzZXJjb250ZW50LmNvbSIsImtleSI6ImtleTUiLCJleHAiOjE3MzkzNTUxNzksIm5iZiI6MTczOTM1NDg3OSwicGF0aCI6Ii8xNjEyNzQyNzEvMzU1MzQ2NDkyLTQ2NDZkNWI2LWE5MTAtNDA2NS04ZjM2LThhYTAzNTg5NDgwZS5wbmc_WC1BbXotQWxnb3JpdGhtPUFXUzQtSE1BQy1TSEEyNTYmWC1BbXotQ3JlZGVudGlhbD1BS0lBVkNPRFlMU0E1M1BRSzRaQSUyRjIwMjUwMjEyJTJGdXMtZWFzdC0xJTJGczMlMkZhd3M0X3JlcXVlc3QmWC1BbXotRGF0ZT0yMDI1MDIxMlQxMDA3NTlaJlgtQW16LUV4cGlyZXM9MzAwJlgtQW16LVNpZ25hdHVyZT01OGY0ZGMyMjlhYWYwMGQwYjVlNjAxYmFjZTJiMWRlOGNhODExZDMzYTRmOWM5NzlmNDE4YTlmYTI2YjU2NzExJlgtQW16LVNpZ25lZEhlYWRlcnM9aG9zdCJ9.8CuEnh-k5Lxy-gmQP_u54MOhoL8BLPR2EbXbmo963fM)
Could you help identify what the problem is?
Thanks,
Best,
SB
The text was updated successfully, but these errors were encountered: