param_get_projection: too many projectionsdefined 原因:num_wann 与设置投影数不匹配。 解决办法:不加soc:num_wann 等于每种原子投影轨道数之和 soc:num_wann 等于两倍的每种原子投影轨道数之和 3. Wannier90.werr文件中出现: Wannier90: Execution started on 2Jun2021 at09:06:32 Found a mismatch in w...
param_get_projections: too few projection functions defined Error on node 0: examine the output/...
functions in a partially occupied d-state system. We also found that, for pseudopotential calculations including deep core levels, it is necessary to remove the electron densities of these deep core levels in the Hartree and exchange–correlation energy functional when calculating the WKM correction p...
The full closed momentum surface would defined like this k2isin[0,1]k3isin[0,1] Input# The necessary tags that you should set in the wt.in &CONTROL Chern_3D_calc = T / &PARAMETERS NumOccpuied = 18 ! No. of occupied wannier bands Nk1 = 41 ! No. of slices of the k points fo...