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 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
