[Smeagol-discuss] calculation problems

[Ivan Rungger]

Dear Xiaoyan,

  smeagol can not calculate the PDOS. If you need the PDOS you have to
run siesta (EMTransport F).

Cheers,

 Ivan

wlxyfeng at mail.ustc.edu.cn wrote:
> Dear all,
>   Now we use smeagol to do some test, the problem is that it always stops before
> finishing all the calculations. The test is the second case of J. Chem. Phys.
> 129, 074710(2008). All the names of the output files are as follows:
>