<div dir="ltr">thank you for the solution but there is another problem <div>when he optimize I lanch this point -10 -5 0 5 10 in example Tic </div><div><div> S.vns -> ./S_vol_-10.0_default.vns</div><div> S.vnsup -> ./S_vol_-10.0_default.vnsup</div><div> S.vnsdn -> ./S_vol_-10.0_default.vnsdn</div><div> S.r2v -> ./S_vol_-10.0_default.r2v</div><div> S.r2vdn -> ./S_vol_-10.0_default.r2vdn</div><div><br></div><div>broyden files deleted, clm*, dmat*, vorb*, vresp*, eece*, vsp*, vns*, scf, struct and input files saved under ./S_vol_-10.0_default</div><div><br></div><div>running dstart in single mode</div><div>STOP DSTART ENDS</div><div>3.3u 0.0s 0:03.40 99.7% 0+0k 0+392io 0pf+0w</div><div>0.0u 0.0s 0:00.05 100.0% 0+0k 0+352io 0pf+0w</div><div>clmextrapol_lapw has generated a new S.clmsum</div><div>hup: Command not found.</div><div>STOP LAPW0 END</div><div>STOP LAPW1 END</div><div>STOP LAPW2 END</div><div>STOP CORE END</div><div>At line 1015 of file mixer.F (unit = 22, file = 'S.scf')</div><div>Fortran runtime error: Sequential READ or WRITE not allowed after EOF marker, possibly use REWIND or BACKSPACE</div><div><br></div><div>> stop error</div><div>ERROR status in S_vol__-5.0</div></div><div><br></div></div><div class="gmail_extra"><br><div class="gmail_quote">2016-01-20 2:00 GMT+01:00 Gavin Abo <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 .8ex;border-left:1px #ccc solid;border-right:1px #ccc solid;padding-left:1ex;padding-right:1ex">
<div bgcolor="#FFFFFF" text="#000000">
<div>The WIEN2k program needs the case
directory and files in it (like case.struct) to have the same name
[
<a href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2007-May/009136.html" target="_blank">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2007-May/009136.html</a>
].<br>
<br>
In your post, it looks like you have the following.<br>
<br>
case directory: WIEN2k<br>
file: GaAs.struct<br>
<br>
However, it needs to be:<br>
<br>
case directory: GaAs<br>
file: GaAs.struct<br>
<br>
You also have to be careful, because Linux is case sensitive [
<a href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg05727.html" target="_blank">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg05727.html</a>
].<span class=""><br>
<br>
On 1/19/2016 6:48 AM, said chibani wrote:<br>
</span></div><span class="">
<blockquote type="cite">
<div dir="ltr">
<div>Dear WIEN2K users I'm new in wien2k, when I tried the the
example of GaAS, but it doesn't work <br>
<span dir="LTR" style="font-family:"Courier New""></span><br>
:~/WIEN2k$ ./GaAs.struct<br>
bash: ./GaAs.struct: Permission denied<br>
said@said-S:~/WIEN2k$ x nn<br>
specify nn-bondlength factor: (usually=2) [and optionally
dlimit, dstmax (about 1.d-5, 20)]<br>
2<br>
At line 123 of file nn.f (unit = 20, file = 'WIEN2k.struct')<br>
Fortran runtime error: End of file<br>
0.0u 0.0s 0:01.89 0.0% 0+0k 0+0io 0pf+0w<br>
error: command /home/said/Documents/nn nn.def failed<br>
</div>
I could not solve this problem give me a solution at this
problem</div>
<div class="gmail_extra"><br>
<div class="gmail_quote">2015-12-23 12:08 GMT+01:00 said chibani
<span dir="ltr"><<a href="mailto:chibanisaid102@gmail.com" target="_blank">chibanisaid102@gmail.com</a>></span>:<br>
<blockquote class="gmail_quote" style="margin:0 .8ex;border-left:1px #ccc solid;border-right:1px #ccc solid;padding-left:1ex;padding-right:1ex">
<div dir="ltr"><span style="font-size:12.8px">- I am running
wien2k version 14.2 on a </span><span style="font-size:12.8px"> system </span><span style="font-size:12.8px"> of type ubunto 12-04 LTS</span>
<div><span style="font-size:12.8px"><br>
</span></div>
<div><span style="font-size:12.8px"></span><span style="font-size:12.8px"> </span><span style="font-family:'Courier New'">I'm
a new user of WIEN2k. I installed WIEN2k in ubuntu
12.04 </span>
<p dir="RTL"><span dir="LTR">I tried the TiC
calculation, but it doesn't work</span><span dir="RTL"></span><span dir="RTL"></span><span style="font-family:'Courier New'" lang="AR-SA"><span dir="RTL"></span><span dir="RTL"></span>.</span><span dir="LTR"></span><span dir="LTR"></span><span dir="LTR" style="font-family:'Courier New'"><span dir="LTR"></span><span dir="LTR"></span><br>
When I click the "x dstart" on the page of
"initialize
calculation</span><span dir="RTL"></span><span dir="RTL"></span><span lang="AR-SA"><span dir="RTL"></span><span dir="RTL"></span>"</span><span dir="LTR"></span><span dir="LTR"></span><span dir="LTR" style="font-family:'Courier New'"><span dir="LTR"></span><span dir="LTR"></span><br>
this is displayed</span><span dir="RTL"></span><span dir="RTL"></span><span lang="AR-SA"><span dir="RTL"></span><span dir="RTL"></span>.</span><span dir="LTR"></span><span dir="LTR"></span><span dir="LTR" style="font-family:'Courier New'"><span dir="LTR"></span><span dir="LTR"></span><br>
error: command /home/said/WIEN2k/dstart
dstart.def failed<br>
Then I open "view TiC.outputd and cp TiC.in0_std
TiC.in0</span><span dir="RTL"></span><span dir="RTL"></span><span style="font-family:'Courier New'" lang="AR-SA"><span dir="RTL"></span><span dir="RTL"></span>",</span><span dir="LTR"></span><span dir="LTR"></span><span dir="LTR" style="font-family:'Courier New'"><span dir="LTR"></span><span dir="LTR"></span><br>
and there is<br>
System Error<br>
Can't read file //home/said/WIEN2k/TiC/TiC.outputd<br>
I could not solve this problem by myself. Please
help me</span></p>
</div>
</div>
</blockquote>
</div>
</div>
</blockquote>
</span></div>
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