Dear all,
is there any possibility to extract the values of various potentials on different reciprocal lattice vectors, i.e. for different plane waves? I need them to construct a semiempirical pseudopotential.
Thanks in advance.
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- Thu May 10, 2012 11:43 am
- Forum: Ground state
- Topic: Values of potentials on different K-points
- Replies: 0
- Views: 1606