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Hi, If you used a, b, c in input scf.in, you should not use ibrav =0 and CELL_PARAMETERS. Best, |
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I made the changed you told me Professor, I still face the same error |
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Hello Prof. Nguyen,
Thank you for the code (QERaman). It is very helpful. I tried to run the calculation for a nanotube system, but I got the following error.
scf.docx
output_scf.docx
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