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<div class="moz-cite-prefix">My suggestion is that you look at
"Table 4.2: Input and output files of utility programs" in the
WIEN2k 16.1 usersguide (on page 35) [
<a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf">http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf</a>
].<br>
<br>
In your email, you say that you used "lapw5 lapw5.def".<br>
<br>
So under the 'program' column find 'LAPW5', then to the right of
it you should see 'case.rho' and case.rho_onedim cutoff as
'case.rho.oned' in the same row under the 'generates' column
showing the output files for the program.<br>
<br>
The case.rho should contain the 2D plane data. If the plane you
setup (in case.in5 by hand or generated with XCRYSDEN) includes
the z-axis, you could see it in a contour plot. You could try to
extract a line of data from the plane data, but it might be a bit
difficult.<br>
<br>
Instead, it looks like it should be easier to get the 1D line data
from case.rho_onedim. This is probably what you want.<br>
<br>
On page 164 in the WIEN2k userguide (ug) under section "8.13.3
Input" it says:<br>
<br>
npy=1 produces a file case.rho_onedim containing the distance r
(from the origin) and the respective density, which can be used in
a standard x-y plotting program<br>
<br>
So it looks like you need to setup the ix,iy,iz values in line 1
(where ug description indicates that this is the origin, e.g.,
point 0,0,0) and line 2 (where ug description indicates that this
should be the endpoint, e.g., 0,0,1 such that z = iz/idv = 1/idv
along the z-axis) of case.in5 to get a line from the origin to
point r to be along the z-axis.<br>
<br>
If 3D, there is a xsf file or case.rho3d [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13152.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13152.html</a>
].<br>
<br>
On 5/17/2017 1:29 PM, Subhasis Samanta wrote:<br>
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<div>Dear Laskowski,</div>
<div> I want to plot electrostatic
potential of the superlattices along z-axis. So I followed few
steps as you mentioned in one of the wien2k thread.</div>
<div><br>
</div>
<div>x lapw0</div>
<div>x lapw5 -d</div>
<div>lapw5 lapw5.def</div>
<div><br>
</div>
<div>I have successfully executed all these commands. From which
file can I get V(z) with corresponding z coordinates data ?</div>
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<div>best wishes<br>
<br>
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Subhasis</div>
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