<div dir="ltr"><div dir="ltr" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">Dear Wien2k users</div><div dir="ltr" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">
I'm using Wien2k_10.1.</div><div dir="ltr" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">I trying to re-calculate DOS for a structure and it seems that the "configure *.int" button doesn't work, meaning that I can't have a command line to choose the right DOS-cases (orbitals). In fact I got a message "configure_int needs input". </div>
<div dir="ltr" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">I tried to recalculate DOS of other structures and of a simple structure (TiC) and got the same note.</div>
<div dir="ltr" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">Of course I can edit it manually (which works fine), but I do not know all the codes (for example "1" "1" stand for "1st atom" " S orbital"). Where can I get a full list of the orbitals (I mainly look for different f orbitals in cubic system).</div>
<div dir="ltr" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">How can I fix that "configure *.int" button ?</div><div dir="ltr" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">
Thanks</div></div>