- Use PBEsol (GGA=PS)
- Run with ALGO=All, which usually improves convergence for magnetic systems
- Vary POTIM and check if the results are stable
- Make sure that you have a sensible MAGMOM. There is a change you don't reach the correct magnetic groundstate and are stuck in a local minimum. Changing MAGMOM or preconverging the calculation with a nonmagnetic calculation can help with convergence.
Why does IVDW = 11 cause bad elastic constants in a particular mineral?
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Re: Why does IVDW = 11 cause bad elastic constants in a particular mineral?
I have a few final suggestions. You can try the following:
Manuel
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