[Pw_forum] range of plotting area for charge density --- definition of e1, e2

yukihiro_okuno at fujifilm.co.jp yukihiro_okuno at fujifilm.co.jp
Fri Feb 27 09:22:39 CET 2009


Dear PWSCF Users.

I want to plot 2D charge density by pp.x and plotrho.x.

In the input file for pp.x for charge density calculation, what is
the unit of e1, e2,  which specifies the plotting area of charge density ?

Do e1 and e2 have Bohr length (au) or   the unit of alat ?

Is the results of plotting charge has e1 * e2 length^{2} ?


&inputpp
  prefic = 'testSample'
  outdir = './'
  filplot = 'testSample'
  plot_num = 0
/
&plot
  nfile = 1
  filepp(1)='testSamplecharge'
  weight = 2
  iflag = 2
  output_format=2
  fileout = 'testSampe.rho.dat'
  e1(1)=0.0,e1(2)=1.0,e1(3)=0.0,
  e2(1)=0.0,e2(2)=0.0,e2(3)=0.0
  x0(1) = 0.0, x0(2)=0.0,x0(3)=0.0
  nx = 56, ny = 56
/




More information about the users mailing list