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Results tagged with pseudopotentials
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user 512
Refers to the approximation of core electrons by effective potentials. Used in plane-wave and Gaussian based theories.
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VASP GW PAW Pseudopotentials
A lot of it will be in the difference in cost. But as a rule of thumb, GW potentials are typically harder, and include more states (semicores).
This need not always be the case, since if you look at t …
- 1,436
8
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Can GW-BSE quasiparticle calculations only be run on norm-conserving pseudopotentials (NCPPs...
The GPAW code can do GW/BSE and it uses purely PAW potentials. So it's absolutely possible to do GW/BSE with PAW sets. The involvement for the implementation, however, is another topic. From Kevin J. …
- 1,436