Chengcheng-Xiao / VASP2WAN90_v2_fix

An updated version of the VASP2WANNIER90v2 interface
87 stars 37 forks source link

write spn files. #8

Closed kibgboomba closed 3 years ago

kibgboomba commented 3 years ago

Thanks for your excellent code! As you mentioned in the list of keywords, the spn file can be only written when VASP is exerted in serial. However, it is very time-consuming. Is there any solution that makes VASP is exerted in parallel (or only becomes serial when writing spn file, remaining parallel when doing other parts)?