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<div class="moz-cite-prefix">As the error indicates, there is a
problem with the contents of the c-mini.in0 file. Without seeing
what is in c-mini.in0, it is hard to know what is wrong.<br>
<br>
The case.in0 format has changed between 13.1 and 14.2. The
functionals used to be specified with a number like "13" for PBE,
but now they are specify with a string like "XC_PBE". So maybe
the problem is due to the format changed. For details on the new
format of case.in0, see section "7.1.3 Input" on page 106 of the
WIEN2k 14.2 usersguide [
<a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/textbooks/usersguide.pdf">http://www.wien2k.at/reg_user/textbooks/usersguide.pdf</a> ].<br>
<br>
On 6/2/2015 10:39 AM, B Tankhilsaihan wrote:<br>
</div>
<blockquote
cite="mid:1661398633.3575537.1433263180356.JavaMail.yahoo@mail.yahoo.com"
type="cite">
<div style="color:#000; background-color:#fff;
font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial,
Lucida Grande, sans-serif;font-size:13px">
<div id="yui_3_16_0_1_1433259313106_3581"><span>Hello Abo </span></div>
<div id="yui_3_16_0_1_1433259313106_3581">Thank you for your
help</div>
<div id="yui_3_16_0_1_1433259313106_3581">I updated software now
i am running on Wien2k_14.2 </div>
<div id="yui_3_16_0_1_1433259313106_3581" dir="ltr">when i run
mini_position do i need to restore previous SCF calculation or
It does new SCF itself ?</div>
<div id="yui_3_16_0_1_1433259313106_3581">Is there something to
do with previous SCF calculation in the mini_position?</div>
<div id="yui_3_16_0_1_1433259313106_3581" dir="ltr">I assuming
"not" and created new session but i got error when I do
initialization.</div>
<div id="yui_3_16_0_1_1433259313106_3581" dir="ltr">The error
occurs in "x dstart" as following </div>
<div id="yui_3_16_0_1_1433259313106_3581" dir="ltr"><br>
</div>
<table style="font-family: Helvetica, Arial, sans-serif; border:
0px; padding: 2px; background-color: rgb(240, 240, 240);"
class="" id="yui_3_16_0_1_1433259313106_6283" border="1">
<tbody class="" style="" id="yui_3_16_0_1_1433259313106_6287">
<tr style="border: 0px; padding: 0px;" class=""
id="yui_3_16_0_1_1433259313106_6286">
<td style="border: 0px;" class=""
id="yui_3_16_0_1_1433259313106_6285">
<pre style="font-family: Courier, fixed;" class="" id="yui_3_16_0_1_1433259313106_6288">forrtl: severe (24): end-of-file during read, unit 14, file /home/wgfkp/WIEN2k/c-mini/c-mini.in0
Image PC Routine Line Source
dstart 0000000000455C26 Unknown Unknown Unknown
dstart 00000000004108D6 make_inter_ 35 make_inter.F
dstart 000000000040D988 MAIN__ 21 dstart.F
dstart 0000000000402ED6 Unknown Unknown Unknown
libc.so.6 00002B61153F1A40 Unknown Unknown Unknown
dstart 0000000000402DC9 Unknown Unknown Unknown
3.4u 0.1s 0:03.55 99.7% 0+0k 0+13120io 0pf+0w
error: command /home/wgfkp/wien2k/dstart dstart.def failed
</pre>
<div dir="ltr" class="" style=""
id="yui_3_16_0_1_1433259313106_6284"><br class=""
style="">
</div>
</td>
</tr>
</tbody>
</table>
<div id="yui_3_16_0_1_1433259313106_3581" dir="ltr" class=""
style=""><br class="" style="">
</div>
<div id="yui_3_16_0_1_1433259313106_3581" dir="ltr" class=""
style="">Inputs are same as previous calculation which is done
without error. </div>
<div id="yui_3_16_0_1_1433259313106_3581" dir="ltr" class=""
style=""><br>
</div>
<div id="yui_3_16_0_1_1433259313106_3581" dir="ltr" class=""
style=""><br>
</div>
<div id="yui_3_16_0_1_1433259313106_3581" dir="ltr" class=""
style="">Regards</div>
<div id="yui_3_16_0_1_1433259313106_3581" dir="ltr" class=""
style="">Batsaikhan.T</div>
</div>
</blockquote>
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