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- Thu Dec 16, 2010 2:54 am
- Forum: Response calculations
- Topic: How to choose the"elphsmear""a2fsmear" in anaddb
- Replies: 3
- Views: 3595
How to choose the"elphsmear""a2fsmear" in anaddb
Hello abinit users, I haved used abinit to calculate the graphene's superconducting properties. I have optimized the cell and ions, and my k-mesh:36*36*1,q-mesh:9*9*1,ecut:40 ha. However,in anaddb calculation,when I use defaults of elphsmear(0.01 ha) and a2fsmear(2e-5 ha), in the outfile of phonon l...