<div dir="ltr"><div><div><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-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255)">Dear friends,<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-align:start;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=""> </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-align:start;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-align:start;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-align:start;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-align:start;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-align:start;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-align:start;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>