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<p>Dear all,</p>
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<p>I have been trying to get a fully relativistic Norm Conserving LDA pseudopotential for Tungsten(W). The pslibrary versions 1.0.0 and 0.3.1 does not have for Tungsten(W). The pseudopotentials generated from abinit and SG15 by
<span>D. R. Hamann</span> contains only PBE. Can anyone give me a link to get the NC LDA pseduopotentials for W?</p>
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<p>Or I can generate the pseudopotential with ld1.x with the input file below but I am missing some element-specific parameter marked as '?'<br>
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<div> &input<br>
title='W',<br>
zed=74.0,<br>
rel=2,<br>
config='[Xe] 4f14 5d5.0 6s1 6p0',<br>
iswitch=3,<br>
dft='LDA'<br>
/<br>
&inputp<br>
pseudotype=2,<br>
file_pseudopw='W.rel-pz-n-nc.UPF',<br>
lloc=0,<br>
nlcc=.true.,<br>
tm=.true.<br>
/<br>
3<br>
5P 2 1 0.00 0.00 ? ? 0.0<br>
4D 3 2 5.00 0.00 ? ? 0.0<br>
5S 1 0 1.00 0.00 ? ? 0.0</div>
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<div>I would like to know the values in place of '?' and how to get that?</div>
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<div>Thank you</div>
Sanjay Gopalan</div>
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