How to run ex_03.py in sisl/examples ?

Asked by satoru tanibayashi on 2017-12-25

Hello Developers,

I would like to know how to run ex_03.py in sisl/examples.

What I did so far are followings:
(1) python ex_03.py
     => obtained {zz.gin, ZZ.fdf}.
(2) gulp < zz.gin >zz.gout
     => seems to be finished normally.
(3) python ex_03.py
     => obtained {ELEC_zz.nc, DEVICE_zz.nc}
(4) tbtrans <ZZ.fdf >ZZ.out
   => could not finish normally.
In the tail of ZZ.out, "Must specify k-points with Monkhorst_Pack".

Thanks much,
satoru

Question information

Language:
English Edit question
Status:
Solved
For:
Siesta Edit question
Assignee:
No assignee Edit question
Solved by:
Nick Papior
Solved:
2017-12-31
Last query:
2017-12-31
Last reply:
2017-12-28
Best Nick Papior (nickpapior) said : #1

Any questions, explicitly, regarding sisl should be asked at the github development site:

https://github.com/zerothi/sisl/issues

satoru tanibayashi (staniba) said : #2

Thanks Nick Papior, that solved my question.

satoru tanibayashi (staniba) said : #3

Hello Nick,

Thank you for your answering.
I posted the same question to the github development site:
https://github.com/zerothi/sisl/issues

satoru