Hello,<br> I have finally got around to do the calculation without the error messages. I am now doing it by using w2web instead of the command prompt. However, my new band structure is shifted in energy by several eV, which means that the calculated Ef was wrong. Has someone encountered the same problem and what was your solution?
<br><br>Thank you.<br>Sincerely yours,<br>Matthew Xia<br><br><div><span class="gmail_quote">On 10/19/07, <b class="gmail_sendername">Matthew Xia</b> <<a href="mailto:xiay@princeton.edu">xiay@princeton.edu</a>> wrote:
</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Hello,<br> I am trying to calculate the band structure for Bi with spin orbital coupling. I was searching for the mailing list and am now following the steps proposed there before:
<br>1)run_lapw -so<br>2)x lapw1 [-c] -so [-band], etc.
<br> I was able to perform the first step and the calculation converged quite quickly, with no error messages. But when I tried to type in the second command on the command line, I received this error message:<br>"chmod: invalid character 'o' in mode string '-so'"
<br>The same error appears when I type "spaghetti -so".<br>Without the '-so' I then get a bunch of errors saying:<br>"chmod: cannot access 'lapw1': No such file or directory<br> chmod: cannot access '[-c]': No such file or directory
<br> chmod: cannot access '[-band]': No such file or directory",<br>which does not make sense to me since SCF ran quite smoothly.<br> Has anyone ran into this problem before? Any explanation would be much helpful.
<br><br>Thanks.<br><span class="sg">MX<br>
</span></blockquote></div><br>