[Pw_forum] error in the bader analysis

Ulman Kanchan Ajit kulman at ictp.it
Thu Jan 8 12:38:28 CET 2015


Dear Shuai,

For the bader code, one has to use the gaussian cube format for the charge
file. To do this just use output_format = 6, in your pp.x input.

hth,
Kanchan Ulman


--
Kanchan Ulman,
Post Doctoral Fellow,
CMSP, ICTP,
Trieste, Italy






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