<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div style="font-family: 'times new roman', 'new york', times, serif; font-size: 12pt;"><br></div><div>Thank you hugely Mr BLAHA for your answer.</div><div> It helped me a lot.<br></div> <div style="font-family: 'times new roman', 'new york', times, serif; font-size: 12pt;"> <div style="font-family: 'times new roman', 'new york', times, serif; font-size: 12pt;"> <div dir="ltr"> <hr size="1"> <font size="2" face="Arial"> <b><span style="font-weight:bold;">De :</span></b> Peter Blaha <pblaha@theochem.tuwien.ac.at><br> <b><span style="font-weight: bold;">À :</span></b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> <br> <b><span style="font-weight: bold;">Envoyé le :</span></b> Jeudi 25 avril 2013 7h33<br> <b><span style="font-weight: bold;">Objet :</span></b> Re: [Wien] problem
in" x kram"<br> </font> </div> <div class="y_msg_container"><br>something wrong in case.inkram.<br>Use the defaults.<br><br>Am 24.04.2013 19:57, schrieb ben abdallah houda:<br>> Dear users,<br>><br>> I am trying to calculate magneto-optic properties. I performed all the steps in the corresponding calculations, but I encountered a problem when running x kram. In fact, I<br>> modified the file. inkram adding plasma frequencies calculated by x joint (with option 6 and after it changed with option 4 for calculating x kram). Performing x Kram, I<br>> found the following message:<br>><br>> xx<br>> zz<br>> xy<br>> Energy units: [eV]<br>> Lorentzian broadening with gamma: 1.000000000000000E-002 [eV]<br>> 1001 data points<br>> WARNING: Gamma has been redefined to 1.361000000000000E-002<br>> since your E-grid (case.injoint) was too crude<br>> ENERGY
INCREMENT: 1.361000000000000E-002<br>><br>> forrtl: severe (59): list-directed I/O syntax error, unit 5, file /home/houda/WIEN2k/GaMnAsP_ferro/GaMnAsP_ferro.inkram<br>><br>> Image PC Routine Line Source<br>> kram 080A2DDD Unknown Unknown Unknown<br>> kram 080A2361 Unknown Unknown Unknown<br>> kram 08075682 Unknown Unknown Unknown<br>> kram 08050202 Unknown
Unknown Unknown<br>> kram 0804FE8C Unknown Unknown Unknown<br>> kram 08062EB3 Unknown Unknown Unknown<br>> kram 0806197D Unknown Unknown Unknown<br>> kram 0804DBF6 MAIN__ 177 kram.f<br>> kram 08049F99 Unknown Unknown Unknown<br>> libc.so.6 40075C2E Unknown Unknown Unknown<br>> 0.002u 0.000s 0:00.10 0.0%0+0k
1576+0io 7pf+0w<br>> error: command /home/houda/wien2packages/kram kram.def failed<br>><br>> I have not understood the message. Can anyone help me solve this problem knowing that I am in the final stage of my work. Thank you in advance for your cooperation.<br>><br>> Dr. Houda Ben Abdallah<br>> Physics Departement, Faculty of Science, Tunis. TUNISIA<br>><br>><br>> _______________________________________________<br>> Wien mailing list<br>> <a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>> <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>> SEARCH the MAILING-LIST at: <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html"
target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>><br><br>-- <br>-----------------------------------------<br>Peter Blaha<br>Inst. Materials Chemistry, TU Vienna<br>Getreidemarkt 9, A-1060 Vienna, Austria<br>Tel: +43-1-5880115671<br>Fax: +43-1-5880115698<br>email: <a ymailto="mailto:pblaha@theochem.tuwien.ac.at" href="mailto:pblaha@theochem.tuwien.ac.at">pblaha@theochem.tuwien.ac.at</a><br>-----------------------------------------<br>_______________________________________________<br>Wien mailing list<br><a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br><a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>SEARCH the MAILING-LIST at: <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html"
target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br><br><br></div> </div> </div> </div></body></html>