mirror of https://github.com/QMCPACK/qmcpack.git
8 lines
413 B
Plaintext
8 lines
413 B
Plaintext
pwscf.pwscf.h5 is generated from "folded"
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gamma.pwscf.h5 is generated from "super"
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The orbitals include a real space cusp correction using pw2qmcpack.x from https://github.com/Paul-St-Young/qmcpack-espresso-5.3.0
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The standard converter included with QMCPACK does not yet support making these corrections.
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The pseudopotential is from http://www.quantum-espresso.org/wp-content/uploads/upf_files/H.coulomb-ae.UPF
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