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- Sat May 27, 2017 11:59 am
- Forum: Response calculations
- Topic: wrong number of qpoints in GKK file wrt anaddb input
- Replies: 0
- Views: 2205
wrong number of qpoints in GKK file wrt anaddb input
Dear Users, What is the correct procedure to find the q points for el-ph calculations and the qpaths in anaddb? The system which I took is two-dimensional buckled Boron. To get a q-points, a ground state calculation was done with kptopt 1 and the ngkpt set to the q-point grid (8 4 1 in my case), the...