Re: [SIESTA-L] PDOS and EIG files in transiesta

2020-06-26 Por tôpico rayan moukhadder
Thanks for your reply, I really found that useful. ‫في الخميس، 25 يونيو 2020 في 11:08 م تمت كتابة ما يلي بواسطة ‪Nick Papior‬‏ <‪nickpap...@gmail.com‬‏>:‬ > TranSiesta does not use the same file formats. > > 1) Eigenvalues cannot be calculated using the NEGF formalism, so you won't > get the

Re: [SIESTA-L] PDOS and EIG files in transiesta

2020-06-25 Por tôpico Nick Papior
TranSiesta does not use the same file formats. 1) Eigenvalues cannot be calculated using the NEGF formalism, so you won't get the eig file, ever. 2) If you use siesta-4.1 or later you will only get a projected DOS output from TBtrans in the *.TBT.nc files. Subsequently you should use sisl,

RE: [SIESTA-L] PDOS and EIG files in transiesta

2020-06-25 Por tôpico El-abed Haidar
:siesta-l@uam.es> Subject: [SIESTA-L] PDOS and EIG files in transiesta Hello everybody, I would like to ask why .PDOS and .EIG files are not obtained by me after a successful transiesta and tbtrans run knowing that i added the options TS.TBT.AtomPDOS true TBT.DOS.A.All true Thanks in advance.

[SIESTA-L] PDOS and EIG files in transiesta

2020-06-24 Por tôpico rayan moukhadder
Hello everybody, I would like to ask why .PDOS and .EIG files are not obtained by me after a successful transiesta and tbtrans run knowing that i added the options TS.TBT.AtomPDOS true TBT.DOS.A.All true Thanks in advance. -- SIESTA is supported by the Spanish Research Agency (AEI) and by the