<html dir="ltr">
<head>
<meta http-equiv="Content-Type" content="text/html; charset=iso-8859-1">
<style id="owaParaStyle" type="text/css">P {margin-top:0;margin-bottom:0;}</style>
</head>
<body ocsi="0" fpstyle="1">
<div style="direction: ltr;font-family: Tahoma;color: #000000;font-size: 10pt;">Dear All,<br>
<br>
I am using Wien2k version 11.1 compiled in a 64 bit linux machine with ifort compiler (version 11.1) and mkl math libraries. I want to do a scf calculation using SO interaction. I have done the scf calculation without SO interaction first and it runs perfectly.
Then I save the results of the scf-cycle with the command save_lapw and run initso_lapw to create the necessary files for scf calculation with SO interaction. The case I am working on require spin polarized calculation, therefore I allow symmetso to create
new symmetry if required and it creates a new .struct file. The program runs perfectly upto this point, but when I accept the new symmetry and try to generate new k-point mesh the program stops and give me the error "kgen XML parse exception: <unknown>:1:1:
syntax error". I also tried with the cos2.struct file, which is available in the Wien2k example directory, but ended up with the same error.<br>
<br>
Please help me to solve this problem.<br>
<br>
Thank you in advance.<br>
<br>
Regards,<br>
Hena Das<br>
<br>
Status: Research Associate<br>
Institution: Cornell University</div>
</body>
</html>