problem on the post treatment of AIMD
Posted: Mon Dec 26, 2016 9:15 am
All my beloved!
I am trying to run the AIMD implemented in Abinit according to the tutorials. but when i use the diag_moldyn.py to generate the data on pressure, energy, stress and temperature etc, a message like
"
$ python diag_moldyn.py tmoldyn_01.out
Vous n'avez pas de fichier netcdf pour diagnostics !
"
I don't known what's the meaning of this message, and don't know how to fix it
Is there anyone who can give me a hand?! thanks a lot
Merry Christmas and Happy New Year!
I am trying to run the AIMD implemented in Abinit according to the tutorials. but when i use the diag_moldyn.py to generate the data on pressure, energy, stress and temperature etc, a message like
"
$ python diag_moldyn.py tmoldyn_01.out
Vous n'avez pas de fichier netcdf pour diagnostics !
"
I don't known what's the meaning of this message, and don't know how to fix it
Is there anyone who can give me a hand?! thanks a lot
Merry Christmas and Happy New Year!