<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;font-size:16px"><div>hi users</div><div dir="ltr">I have this error when I want to run scf:</div><div id="yui_3_16_0_1_1419675680422_2559" dir="ltr">' usr/local/codes/WIEN2K-13.1/lapw0 command not found</div><div id="yui_3_16_0_1_1419675680422_2558" dir="ltr">error: command /usr/local/codes/WIEN2K-13.1/lapw0 uplapw0.def failed'</div><div id="yui_3_16_0_1_1419675680422_2562" dir="ltr">can you help me to solve this error?</div><div id="yui_3_16_0_1_1419675680422_2563" dir="ltr">thanks<br></div><div id="yui_3_16_0_1_1419675680422_2549"><span></span></div><div id="yui_3_16_0_1_1419675680422_2550"> </div><div id="yui_3_16_0_1_1419675680422_2553"><div id="yui_3_16_0_1_1419675680422_2552"><div id="yui_3_16_0_1_1419675680422_2551" dir="ltr">-- <br></div><div id="yui_3_16_0_1_1419675680422_2554" dir="ltr">Mona Rahimian MSc Student<br></div><div id="yui_3_16_0_1_1419675680422_2555" dir="ltr">Physics Department,<br></div><div id="yui_3_16_0_1_1419675680422_2556" dir="ltr">College of Sciences<br></div><div id="yui_3_16_0_1_1419675680422_2557" dir="ltr">Shiraz University, Shiraz, Iran<br></div><div id="yui_3_16_0_1_1419675680422_2564" dir="ltr">E-mail address:rahimian91@ymail.com <br></div></div></div><br> <div id="yui_3_16_0_1_1419675680422_2568" style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif; font-size: 16px;"> <div id="yui_3_16_0_1_1419675680422_2567" style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif; font-size: 16px;"> <div id="yui_3_16_0_1_1419675680422_2566" dir="ltr"> <hr size="1"> <font id="yui_3_16_0_1_1419675680422_2565" size="2" face="Arial"> <b><span style="font-weight:bold;">From:</span></b> Subhasis Samanta <subhasissamanta2@gmail.com><br> <b><span style="font-weight: bold;">To:</span></b> wien@zeus.theochem.tuwien.ac.at <br> <b><span style="font-weight: bold;">Sent:</span></b> Thursday, 25 December 2014, 0:40:16<br> <b><span style="font-weight: bold;">Subject:</span></b> [Wien] Structural relaxation<br> </font> </div> <div id="yui_3_16_0_1_1419675680422_2569" class="y_msg_container"><br><div id="yiv4786201781"><div id="yui_3_16_0_1_1419675680422_2573" dir="ltr"><div id="yui_3_16_0_1_1419675680422_2572"><div id="yui_3_16_0_1_1419675680422_2571"><div id="yui_3_16_0_1_1419675680422_2570" style="color:rgb(34,34,34);font-family:arial, sans-serif;font-size:13px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);">Dear friends,<br><br></div><span id="yui_3_16_0_1_1419675680422_2574" style="color:rgb(34,34,34);font-family:arial, sans-serif;font-size:13px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;display:inline!important;float:none;background-color:rgb(255,255,255);">I am a new wien2k user. I did structural relaxation (atomic position) calculation using the command as<span class="yiv4786201781"> </span></span><br style="color:rgb(34,34,34);font-family:arial, sans-serif;font-size:13px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);"><br style="color:rgb(34,34,34);font-family:arial, sans-serif;font-size:13px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);"><div style="color:rgb(34,34,34);font-family:arial, sans-serif;font-size:13px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);">min -j 'runsp_lapw -I -fc 1.0 -i 100'<br><br></div><span style="color:rgb(34,34,34);font-family:arial, sans-serif;font-size:13px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;display:inline!important;float:none;background-color:rgb(255,255,255);">There was no error in my calculation. But it does not save the new case.struct files under case_1/2/3/ ..Could you tell how to save all the new case.struct files and the final relaxed structure files<br><br></span></div><span style="color:rgb(34,34,34);font-family:arial, sans-serif;font-size:13px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;display:inline!important;float:none;background-color:rgb(255,255,255);">best wishes<br></span></div><span style="color:rgb(34,34,34);font-family:arial, sans-serif;font-size:13px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;display:inline!important;float:none;background-color:rgb(255,255,255);">Subhasis<br></span></div></div><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>