Re: [SIESTA-L] regarding pDOS

2020-05-13 Por tôpico Nick Papior
This can be done if you use siesta-4.1-b4 and if compiled with NetCDF support. Then you will get a file named: *.TBT.nc Then you can use sisl (https://github.com/zerothi/sisl) to extract orbital resolved DOS by doing something like this: sdata siesta.TBT.nc --atom 10-12[3,4] --DOS --out

Re: [SIESTA-L] << Error compiling Util/COOP >>

2020-05-13 Por tôpico Nick Papior
Could you try and do (in Util/COOP): make clean make parallel.o make and give me the output if it fails? Den fre. 8. maj 2020 kl. 22.10 skrev I. Camps : > Hello SIESTers, > > I successfully compiled SIESTA with the attached arch.make (link >