<html><body><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_1433322918042_3626"><span id="yui_3_16_0_1_1433322918042_3914">Dear Abo </span></div><div id="yui_3_16_0_1_1433322918042_3626">I have checked case.in0 it shows following:</div><div id="yui_3_16_0_1_1433322918042_3626"><br></div><div id="yui_3_16_0_1_1433322918042_3626" class="" style=""> TOT XC_PBE (XC_LDA,XC_PBESOL,XC_WC,XC_MBJ,XC_REVTPSS)</div><div id="yui_3_16_0_1_1433322918042_3626" class="" style=""> NR2V</div><div dir="ltr" class="" style="" id="yui_3_16_0_1_1433322918042_4601"><br class="" style=""></div> <div id="yui_3_16_0_1_1433322918042_3626" class="" style="">How to manage this error if there is format difference.</div><div id="yui_3_16_0_1_1433322918042_3626" class="" style=""><br></div><div id="yui_3_16_0_1_1433322918042_3626" class="" style="">Regards</div><div id="yui_3_16_0_1_1433322918042_3626" class="" style="">Batsaikhan.T</div><br><div class="qtdSeparateBR"><br><br></div><div class="yahoo_quoted" style="display: block;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 13px;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 16px;"> <div dir="ltr"> <font size="2" face="Arial"> On Wednesday, June 3, 2015 7:01 AM, Gavin Abo <gsabo@crimson.ua.edu> wrote:<br> </font> </div> <br><br> <div class="y_msg_container"><div id="yiv7746346802"><div>
<div class="yiv7746346802moz-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 clear="none">
<br clear="none">
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 rel="nofollow" shape="rect" class="yiv7746346802moz-txt-link-freetext" target="_blank" href="http://www.wien2k.at/reg_user/textbooks/usersguide.pdf">http://www.wien2k.at/reg_user/textbooks/usersguide.pdf</a> ].<br clear="none">
<div class="yiv7746346802yqt5810344847" id="yiv7746346802yqtfd73046"><br clear="none">
On 6/2/2015 10:39 AM, B Tankhilsaihan wrote:<br clear="none">
</div></div><div class="yiv7746346802yqt5810344847" id="yiv7746346802yqtfd95935">
<blockquote 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="yiv7746346802yui_3_16_0_1_1433259313106_3581"><span>Hello Abo </span></div>
<div id="yiv7746346802yui_3_16_0_1_1433259313106_3581">Thank you for your
help</div>
<div id="yiv7746346802yui_3_16_0_1_1433259313106_3581">I updated software now
i am running on Wien2k_14.2 </div>
<div dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581">when i run
mini_position do i need to restore previous SCF calculation or
It does new SCF itself ?</div>
<div id="yiv7746346802yui_3_16_0_1_1433259313106_3581">Is there something to
do with previous SCF calculation in the mini_position?</div>
<div dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581">I assuming
"not" and created new session but i got error when I do
initialization.</div>
<div dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581">The error
occurs in "x dstart" as following </div>
<div dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581"><br clear="none">
</div>
<table class="yiv7746346802" id="yiv7746346802yui_3_16_0_1_1433259313106_6283" style="font-family:Helvetica, Arial, sans-serif;border:0px;padding:2px;background-color:rgb(240, 240, 240);" border="1"><tbody class="yiv7746346802" id="yiv7746346802yui_3_16_0_1_1433259313106_6287" style=""><tr class="yiv7746346802" id="yiv7746346802yui_3_16_0_1_1433259313106_6286" style="border:0px;padding:0px;"><td colspan="1" rowspan="1" class="yiv7746346802" id="yiv7746346802yui_3_16_0_1_1433259313106_6285" style="border:0px;">
<pre class="yiv7746346802" id="yiv7746346802yui_3_16_0_1_1433259313106_6288" style="font-family:Courier, fixed;">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 class="yiv7746346802" dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_6284" style=""><br clear="none" class="yiv7746346802" style="">
</div>
</td></tr></tbody></table>
<div class="yiv7746346802" dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581" style=""><br clear="none" class="yiv7746346802" style="">
</div>
<div class="yiv7746346802" dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581" style="">Inputs are same as previous calculation which is done
without error. </div>
<div class="yiv7746346802" dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581" style=""><br clear="none">
</div>
<div class="yiv7746346802" dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581" style=""><br clear="none">
</div>
<div class="yiv7746346802" dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581" style="">Regards</div>
<div class="yiv7746346802" dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581" style="">Batsaikhan.T</div>
</div>
</blockquote>
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