Problem in SCF converge in transiesta!
Asked by
Ali Jafari
Hello,
I want to calculate transport properties (I-V curve) by using TRANSIESTA,as long as the bias is low, the TRANSIESTA calculation is OK but i change voltage to 0.5 ,SCF did not converge in maximum number of steps.
I increased electrode size or change mixing wieght and number pulay several time but it is not converged .
Please help to solve this problem.
best regards .
Question information
- Language:
- English Edit question
- Status:
- Solved
- For:
- Siesta Edit question
- Assignee:
- No assignee Edit question
- Solved by:
- Nick Papior
- Solved:
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