NetCDF is not a requirement for siesta, but it makes certain (many things related to the grid) much easier.
For tbtrans in 4.1. It isn't a requirement, but many options are _only_ implemented for tbtrans compiled with NetCDF support, such as: - molecular projected transmission - orbital resolved DOS - automatic k-point averaged transmission - automatic k-point averaged DOS - Storing down-folded self-energies - orbital currents (also known as bond-currents) - User defined tight-binding models for millions of atoms (see the sisl package: https://github.com/zerothi/sisl which writes the Hamiltonian in a tbtrans compatible format) - Maybe I have forgotten some things... So I would say NetCDF is almost a requirement for the new tbtrans... 2017-02-17 0:57 GMT+01:00 berna uyanık <bernauya...@gmail.com>: > Has netcdf to be installed for tbtrans? > > 2017-02-16 0:06 GMT+03:00 Nick Papior <nickpap...@gmail.com>: > >> It is not a must, but it is highly recommendable. >> >> Also, the second beta release of siesta 4.1 has been released. >> When testing with a beta release you are encouraged to follow the new >> releases, closely. >> >> 2017-02-15 15:25 GMT+01:00 Riya Rogers <rogers.riy...@gmail.com>: >> >>> Dear All >>> >>> Is it must to compile Siesta 4.1b1 with netcdf? >>> >>> Regards >>> Riya >>> >> >> >> >> -- >> Kind regards Nick >> > > -- Kind regards Nick
