Unable to calculate Exchange and DMI for compressive strain

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AaDiTya NaLin

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May 19, 2025, 2:32:28 AMMay 19
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Dear TB2J Team,
I am trying to calculate exchange and DMI for tensile and compressive strain. For tensile strain , I am able to calculate it , however for compressive strain it is showing this raise value error. 
I have attached the screenshot of the error associated with it. 
Please look into my query and reply .
Thanking You
Aaditya Nalin
Screenshot 2025-05-19 120027.png

Xu He

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May 21, 2025, 12:04:50 PMMay 21
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Hello, 
Did you check both the DFT calcualtions are converged and fully finished? If not, SIESTA does not write the Hamiltonian to file.
Best regards, 
HeXu
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