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Gate potential wiith siesta/transiesta

"But there is no explanation regarding the details of each parameter, for example, the origin of the spanning vector... " Nick Papior's comment implied that enough information was provided ...
Nike Dattani's user avatar
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Why am I getting a wrong lattice constant from these SIESTA calculations?

When optimizing the size of a cell using SIESTA and issues you encounter might indeed be related to the k-point grid density. The k-point grid density directly influences the accuracy of electronic ...
Elie H's user avatar
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