Dear Sir I have tried to plot the electrostatic potential (V) with respect to vacuum but I see strange behaviour of the plots than what is reported in literature for other materials. I see that the resulting "V" is not flat in the vacuum region (plot_num=11 in pp.x). I plot colum 1 vs colum 2 from avg.dat file
My files can be downloaded from here (for limited time). https://a.uguu.se/VTZByeFJEOZ8_electrostatic-pot I have kept in the tar file a series of *dat files (numerical digit in the file name represents the vacuum in Bohr and *in files for a single case. I am looking for a advice to understand the mistake of my data. It is certainly possible that there may be issue with my input files but I could not Please also look at my previous email. Thank you for reading my email. Best Wishes, Rekha
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