Thank you On Sat, 12 Feb 2022 at 02:32, Alberto Garcia <alber...@icmab.es> wrote:
> Hi, > > The units are indeed Bohr^-1. But in the .bands file (assuming you are > using the 'bandlines' option), what is printed is > the cumulative path length in reciprocal space. > > I hope this helps. > > Alberto > > > ----- El 10 de Feb de 2022, a las 04:39, Pasan Henadeera > henadeer...@gmail.com escribió: > > | Dear Prof. Papior, > | In the output file SYSTEM_NAME.BANDS, what is the unit using which the > k-point > | coordinates are specified? > | > | It seems that this is not in 1/Bohr as in the [ > | > https://protection.puc.rediris.es/fmlurlsvc/?fewReq=:B:JV07MDU0Oyd3PDMvMSdoZTwxMDsxMCdyaGZvYHV0c2Q8ZWRiNTgzNDBnOWA4MTMzZDQ2MzYyZTcxNTQyNDQxZGU5ZDZkYGRgMSd1PDA3NTU1NzU1MDIncGhlPDMwQDJkOFtUMTM2MDYzLDMwQDJkOFtWMTM2MDYzJ3NicXU8cmhkcnVgLG1BdGBsL2RyJ2I8ODEnaWVtPDE=&url=http%3a%2f%2fSYSTEM_NAME.KP > | | SYSTEM_NAME.KP ] file. Is that correct? > | > | > | Thank you > | -- > | Best regards > | Pasan Henadeera > | > | > | -- > | SIESTA is supported by the Spanish Research Agency (AEI) and by the > European > | H2020 MaX Centre of Excellence (http://www.max-centre.eu/) > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence (http://www.max-centre.eu/) > -- Best regards Pasan Henadeera
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
