[Wien] Band Structure Plot for Spin Orbital Coupling

[Matthew Xia]

Hello,
  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?

Thank you.
Sincerely yours,
Matthew Xia

On 10/19/07, Matthew Xia <xiay at princeton.edu> wrote:
>
> Hello,
>   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:
> 1)run_lapw -so
> 2)x lapw1 [-c] -so [-band], etc.
>   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:
> "chmod: invalid character 'o' in mode string '-so'"
> The same error appears when I type "spaghetti -so".
> Without the '-so' I then get a bunch of errors saying:
> "chmod: cannot access 'lapw1': No such file or directory
>  chmod: cannot access '[-c]': No such file or directory
>  chmod: cannot access '[-band]': No such file or directory",
> which does not make sense to me since SCF ran quite smoothly.
>   Has anyone ran into this problem before? Any explanation would be much
> helpful.
>
> Thanks.
> MX
>
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