want to export dos, band structure data/graphs to origin pro for plotting results. how can i do it. how to cite this software?
8件のコメント
いいね！
8件のコメント
Kravec Dendil
7月30日
Clay’s guide on user experience data is a must-read for designers! It highlights why using statistical analysis during the design process is essential. By leveraging data, we can better understand user behavior and preferences, leading to more effective designs. I found the insights incredibly valuable and plan to apply them to my next project!
いいね！
Kate Taralin
2023年10月11日
Healthcare development software is a vital part of today's healthcare ecosystems. The implementation of comprehensive payment models, the increased need for data security and interoperability between healthcare data systems, so if you need to develop your own - you can go on a special site to develop your software.
いいね！
Rob Kelen
2023年4月24日
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いいね！
Satomichi Nishihara
2018年1月11日
The current version of BURAI cannot export ascii file.
いいね！
Shoaib
2018年1月11日
Thank you very much for your explanation. Is it possible to add some thing like, "export ascii files" of the different plots directly from Burai GUI?
いいね！
Satomichi Nishihara
2018年1月10日
BURAI sums up PDOSs (espresso.pdos_atm#***) of all atoms and all orbitals for each element.
e.g. DOS of Ni is sum of espresso.pdos_atm#1(Ni)_wfc#1(s), espresso.pdos_atm#1(Ni)_wfc#2(p),
I am new to Quantum Espresso and Burai, pardon me if my question is naive. Thank you for this excellent GUI. I can successfully perform calculations. I want to plot DOS using external software but when I plot the data in espresso.dos, I can see only total DOS not separated for elements. If I plot from files like espresso.pdos_atm#Ni_wfc#2(d), I don't get the similar plot as I see in Burai GUI even if I shift the x-axis like E-Ef, my y-axis scale is very small. Can you guide how these DOS plots are generated for each element?
いいね！
Satomichi Nishihara
2017年10月03日
The data of DOS are written in the file "espresso.dos" .
The data of Band are written in the file "espresso.band1.gnu" .
If you want picture of graph, just push the screen-shot button.
> how to cite this software?
Please cite the URL: https://github.com/BURAI-team/burai .
Clay’s guide on user experience data is a must-read for designers! It highlights why using statistical analysis during the design process is essential. By leveraging data, we can better understand user behavior and preferences, leading to more effective designs. I found the insights incredibly valuable and plan to apply them to my next project!
Healthcare development software is a vital part of today's healthcare ecosystems. The implementation of comprehensive payment models, the increased need for data security and interoperability between healthcare data systems, so if you need to develop your own - you can go on a special site to develop your software.
I work as an service provider and I often have to visit different websites and it is important for me not to catch viruses or other problems from malicious sites. I found https://webparanoid.com/en/check-website#/, a site checker add-on that works for me and I feel safe without stressing my computer at all.
The current version of BURAI cannot export ascii file.
Thank you very much for your explanation. Is it possible to add some thing like, "export ascii files" of the different plots directly from Burai GUI?
BURAI sums up PDOSs (espresso.pdos_atm#***) of all atoms and all orbitals for each element.
e.g. DOS of Ni is sum of espresso.pdos_atm#1(Ni)_wfc#1(s), espresso.pdos_atm#1(Ni)_wfc#2(p),
espresso.pdos_atm#1(Ni)_wfc#3(d), espresso.pdos_atm#2(Ni)_wfc#1(s), espresso.pdos_atm#2(Ni)_wfc#2(p), espresso.pdos_atm#2(Ni)_wfc#3(d), ...
I am new to Quantum Espresso and Burai, pardon me if my question is naive. Thank you for this excellent GUI. I can successfully perform calculations. I want to plot DOS using external software but when I plot the data in espresso.dos, I can see only total DOS not separated for elements. If I plot from files like espresso.pdos_atm#Ni_wfc#2(d), I don't get the similar plot as I see in Burai GUI even if I shift the x-axis like E-Ef, my y-axis scale is very small. Can you guide how these DOS plots are generated for each element?
The data of DOS are written in the file "espresso.dos" .
The data of Band are written in the file "espresso.band1.gnu" .
If you want picture of graph, just push the screen-shot button.
> how to cite this software?
Please cite the URL: https://github.com/BURAI-team/burai .