<div dir="rtl"><div class="gmail-adn gmail-ads"><div class="gmail-gs"><div class="gmail-"><div id="gmail-:2nt" class="gmail-ii gmail-gt"><div id="gmail-:2nu" class="gmail-a3s gmail-aXjCH"><div dir="rtl"><div dir="ltr">hi dear users</div><div dir="ltr"><br></div><div dir="ltr">I'm
 doing pxcond.x with QE in order to calculate the transmission 
characteristic. after scf for lead and scat region, i done pwcond.x and 
my input file is as follow:</div><div dir="ltr"> &inputcond<br>    outdir='/home/qchem/farideh/third/CO-on-X3/transport/out/',<br>    prefixl='lead',<br>    prefixs='scat',<br>    tran_file='trans',<br>    ikind = 1,<br>    energy0=3.d0,<br>    denergy=0.d0,<br>    ewind=1.d0,<br>    epsproj=1.d-3,<br>    nz1 = 1,<br> /<br>    1<br>    1.0  1.0  1.0<br>22<br>  3.0<br>  2.7<br>  2.5<br>  2.0<br>  1.6<br>  1.3<br>  1.0<br>  0.9<br>  0.5<br>  0.1<br>  0.0<br> -0.1<br> -0.25<br> -1.15<br> -1.45<br> -1.9<br> -3.0<br> -4.0<br> -5.0<br> -6.0<br> -6.2<br> -6.45<br></div><div dir="ltr">------------------ <br></div><div dir="ltr"> but after times, that stoped with this error:</div><div dir="ltr"><br></div><div dir="ltr"><br></div><div dir="ltr"> ngper, shell number =          829         224<br> ngper, n2d =          829         829<br>---  E-Ef =    0.0000000  k =    1.0000000   1.0000000<br>---  ie =          1  ik =          1<br><br>===================================================================================<br>=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES<br>=   PID 10892 RUNNING AT qchem-X58-USB3<br>=   EXIT CODE: 1<br>=   CLEANING UP REMAINING PROCESSES<br>=   YOU CAN IGNORE THE BELOW CLEANUP MESSAGES<br>=================================================================================== </div><div dir="ltr"><br></div><div dir="ltr"><br></div><div dir="ltr">and i got this in crash file:</div><div dir="ltr"><br></div><div dir="ltr"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     task #         6<br>     from gep_x : error #      1658<br>     error on zggev<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div dir="ltr"><br></div><div dir="ltr">can anyone help me to solve the problem please?</div><div dir="ltr"><br></div><div dir="ltr">regard</div><font color="#888888"><div dir="ltr"><br></div><div dir="ltr">farideh</div></font></div><div class="gmail-adL">
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