[Pw_forum] Unit of charge density

Dong-Hee Lim limkr at umich.edu
Sun Aug 31 06:17:28 CEST 2008


Dear All

I was just wondering what unit of charge density is used in Quantum  
Espresso and Xcrysden viewer.

After I calculate a SCF calculation, I got a charge density result  
using the following inputs. Xcrysden shows the charge density result  
with a legend saying "Scale delta n(r)".

I would appreciate if you let me know how I understand the unit of  
charge density.

-----------------------------
  &inputpp
     prefix  = 'input_file'
     outdir = '/file_location/,
     filplot = 'input_file_charge'
     plot_num= 0
  /
  &plot
     iflag = 3
     output_format = 5
     fileout = 'input_file.dat'
  /
-------------------------------------

Thank you,
Donghee





-- 
Dong-Hee Lim, Ph.D. candidate
Dept. of Civil and Environmental Engineering
University of Michigan




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