Add ability to choose spin channel? (collinear)

Chengcheng-Xiao / VASP2WAN90_v2_fix

An updated version of the VASP2WANNIER90v2 interface

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Closed Chengcheng-Xiao closed 4 years ago

Chengcheng-Xiao commented 4 years ago

By default, we loop over all spin channle:

spin: DO ISP=1,WDES%ISPIN

This could be fixed by just adding a W90_spin tag to choose which channel we want.

Moreover, we should be able to use different projections for different spin channel ( using *.up.win and *.dn.win files ).

For this to work, we need to change seed_name.

Chengcheng-Xiao commented 4 years ago

Spin channel specification one in 7db71363b5a8268293797f998cd460c1bb16aec4. seed_name change seems redundant, Ignore for now.