<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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