The new implementation about "--no_q_scale" (26/04/2017) as showed below
group2.add_argument(
"--no_q_scale",
action = 'store_true',
help = "Do not scale normal-mode coordinates fed to Phonopy by sqrt(N_a) (this is required for correct dU(Q) curves; only turn this off if you know what you're doing...!)"
);
will not work, because the "ScaleQ" variable will not be changed by giving the command-line option "--no_q_scale".
Suggest to change to:
group2.add_argument(
"--no_q_scale",
dest = 'ScaleQ',
action = 'store_false',
help = "Do not scale normal-mode coordinates fed to Phonopy by sqrt(N_a) (this is required for correct dU(Q) curves; only turn this off if you know what you're doing...!)"
);
The new implementation about "--no_q_scale" (26/04/2017) as showed below
group2.add_argument(
"--no_q_scale",
action = 'store_true',
help = "Do not scale normal-mode coordinates fed to Phonopy by sqrt(N_a) (this is required for correct dU(Q) curves; only turn this off if you know what you're doing...!)"
);
will not work, because the "ScaleQ" variable will not be changed by giving the command-line option "--no_q_scale".
Suggest to change to:
group2.add_argument(
"--no_q_scale",
dest = 'ScaleQ',
action = 'store_false',
help = "Do not scale normal-mode coordinates fed to Phonopy by sqrt(N_a) (this is required for correct dU(Q) curves; only turn this off if you know what you're doing...!)"
);