<div dir="ltr">Dear <span style="font-family:arial,sans-serif;font-size:13px">F. Tran</span><div style><span style="font-family:arial,sans-serif;font-size:13px">Thank you for correction. I made a mistake in case.in0_grr by selecting indxc value 55 instead of 50, and I am repeating this mistake for two days :(</span></div>
<div style><span style="font-family:arial,sans-serif;font-size:13px"><br></span></div><div style><span style="font-family:arial,sans-serif;font-size:13px">True Regards</span></div><div style><span style="font-family:arial,sans-serif;font-size:13px">M. Sajjad</span></div>
</div><div class="gmail_extra"><br><br><div class="gmail_quote">On Tue, Sep 3, 2013 at 3:57 PM, <span dir="ltr"><<a href="mailto:tran@theochem.tuwien.ac.at" target="_blank">tran@theochem.tuwien.ac.at</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi,<br>
<br>
you have probably not selected the correct value for indxc in case.in0 or<br>
case.in0_grr. It should be 28 in case.in0 and 50 in case.in0_grr.<br>
I guess that you did it correctly for 0.25 doping.<br>
<br>
F. Tran<div class="HOEnZb"><div class="h5"><br>
<br>
On Tue, 3 Sep 2013, Muhammad Sajjad wrote:<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear Wien2k users<br>
<br>
I am am running mBJGGA calculations for ternary alloy. the super cell is of 8 atoms and doping<br>
is 0.75. For 0.25 doping, the mBJGGA calculations (spin is involved) have completed with no<br>
error, but for 0.75 doping the following error is appearing. <br>
<br>
<br>
[msajjad@msajjad SCF75]$ runsp_lapw -cc 0.00001 -in1new 2 -i 100 -NI<br>
forrtl: severe (24): end-of-file during read, unit 60, file<br>
/home/msajjad/3rdpaper/MgVTe/<u></u>SCF75/SCF75.inhf<br>
Image PC Routine Line Source <br>
lapw0 00000000005405AD Unknown Unknown Unknown<br>
lapw0 000000000053F0B5 Unknown Unknown Unknown<br>
lapw0 00000000004DF760 Unknown Unknown Unknown<br>
lapw0 000000000049E7AA Unknown Unknown Unknown<br>
lapw0 000000000049DFA0 Unknown Unknown Unknown<br>
lapw0 00000000004BDE9C Unknown Unknown Unknown<br>
lapw0 0000000000441273 MAIN__ 255 lapw0.F<br>
lapw0 0000000000403BAC Unknown Unknown Unknown<br>
libc.so.6 00000034BF01ECDD Unknown Unknown Unknown<br>
lapw0 0000000000403AA9 Unknown Unknown Unknown<br>
<br>
> stop error<br>
<br>
<br>
Please help me to overcome this problem.<br>
<br>
With thanks<br>
M. Sajjad<br>
<br>
</blockquote>
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