In Siesta 4.1 you don't need to specify TS.TBT.PDOSFrom/To. They are not
used.
If you have the *.TBT.nc files you can simply use the sdata command to
extract PDOS for individual atoms.
Please go through TB_04 example in the TranSiesta tutorial here:
https://github.com/zerothi/ts-tbt-sisl-tutorial
Good evening,
I was wondering if there is another way for extracting PDOS from tbtrans
especially when we have many different elements and for a large unit cell.
I read about sisl but could find a clear manual to how to extract PDOS from nc
files?
Could anyone give me a proper explanation or way
I also need to point out that i want an alternative especially if the transport
unit cell has multiple elements which means fixing TS.TBT.PDOSFrom and TO many
times.
Not to forget that i have many different systems I am aiming to use. SO I
really hope there is an alternative?
THank you and sorry
Good evening,
I was wondering if there is another way for extracting PDOS from tbtrans
especially when we have many different elements and for a large unit cell.
I read about sisl but could find a clear manual to how to extract PDOS from nc
files?
Could anyone give me a proper explanation or way