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========= | ||
WANNIER90 | ||
========= | ||
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The Maximally-Localised Generalised Wannier Functions Code | ||
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v1.0.1 (17th May 2006) | ||
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* Bug fix in wannierise minimiser - caused poor convergence in large systems | ||
* Increase precision of k-points in *.nnkp file | ||
* More robust selection of eigenvectors in disentanglement (dis_proj_froz) | ||
* Addition of write_proj keyword -- outputs projection of original bands | ||
on final Wannier functions | ||
* Longer strings for atom labels in *.win | ||
* Minor format change to *_bands.dat | ||
* Check restart keyword in *.win |