<html><body><div style="color:#000; background-color:#fff; font-family:arial, helvetica, sans-serif;font-size:10pt"><div><br></div><div> Using MBJ the potential (with optimized parameters lattice obtained from GGA), I want calculate DOS for GaAs, but at to run x lapw2-qtl-c, I get the following error.<br></div><div><br></div><div>Commandline: <b>x lapw2 -qtl -c</b><br>
<br>
</div><pre>forrtl: severe (64): input conversion error, unit 1001, file /home/maligno/WIEN2K_11/scratch/GaAs_MBJGGA.help031
Image PC Routine Line Source
lapw2c 000000000053B38A Unknown Unknown Unknown
lapw2c 0000000000539F05 Unknown Unknown Unknown
lapw2c 00000000004DE5E6 Unknown Unknown Unknown
lapw2c 000000000049B566 Unknown Unknown Unknown
lapw2c 000000000049ACD9 Unknown Unknown Unknown
lapw2c 00000000004BCD79 Unknown Unknown Unknown
lapw2c 00000000004798F5 outp_ 184 outp.f
lapw2c 000000000046AFD6 l2main_ 1973 l2main_tmp_.F
lapw2c 0000000000473E6C MAIN__ 564 lapw2_tmp_.F
lapw2c 0000000000403C7C Unknown Unknown Unknown
libc.so.6 00002B74A6B00EFF Unknown Unknown Unknown
lapw2c 0000000000403B79 Unknown Unknown Unknown
1.9u 0.5s 0:02.65 95.8% 0+0k 22712+15192io 0pf+0w
error: command /home/maligno/WIEN2K_11/lapw2c lapw2.def failed<br><br><span id="result_box" class="long_text" lang="en"><span class="hps">Using the</span> <span class="hps">optimized</span> <span class="hps">parameter</span> lattice <span class="hps">obtained from</span> <span class="hps">LDA,</span> <span class="hps">do not see this</span> <span class="hps">error.</span><br><br> <span class="hps">Someone</span> <span class="hps">can help</span> <span class="hps">me</span><span class="">!</span></span> <br></pre><div> </div><div><span style="font-style:italic;">José A. Camargo Martínez</span><br><span style="font-weight:bold;"><br></span></div></div></body></html>