On 10/29/2015 10:25 AM, Yue-Wen Fang wrote: > I am encountering another question in the case of 4-atom CoO. To say in > detail, if I input too many projections (eg. 7 projections) in the step > of "init_w2w", the program would crash and say that "write_inwf: too > many projections, 7 > 6". How can I add more bands to projections?
“Too many projections” means nproj > nbands; this is not possible. To have nproj < nbands (disentanglement), simply select more bands in the first step of ‘write_inwf’. -- Elias Assmann Institute of Theoretical and Computational Physics TU Graz ⟨https://itp.tugraz.at/⟩
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