Re: [SIESTA-L] Extracting PDOS using SISL command (sdata)

Dear Esmaeil, It seems you haven't calculated the DOS quantities? It says: "KeyError 'ADOS'" which is because the dos isn't stored in the file, you should add: TBT.DOS.A to your input file. :) Den ons. 16. jan. 2019 kl. 22.03 skrev Esmaeil Farajpour Bonab < e.farajpou...@gmail.com>: > Dear N

[SIESTA-L] Extracting PDOS using SISL command (sdata)

Dear Nick, I hope everything goes well with you. After making siesta.TBT.nc file using TBtrans, I tried to extract PDOS of the device region in my system (which defined atom 38 through 108) using SDATA command that mentioned in TBtrnas manual as following: *sdata auc70nafau.TBT_DN.nc