[Wien] Two problems about DOS

Shu Miao shu at its.caltech.edu
Fri Oct 22 20:44:49 CEST 2004


Hello all,
I  have two problems in calculating the DOS.
1. The default Emax in case.in1 is 1.5 which cuts off the DOS at 11ev.
Since I want to know the DOS up to 20ev, I increase the Emax to 3.0 in
case.in1and rerun lapw1. This extends the DOS to 14ev. However, whatever I
increase the Emax further (5.0, 8.0, 10.0,...20.0), the DOS always stops
at 14ev. Is there other parameter which puts limitation on the DOS range?
2. The last line in my case.in1 file is "K-VECTORS FROM...", not "END".
But the program runs well and no error report. I put a "END" as the last
line, and nothing happens. The program still runs as before and the DOS
still stops at 14ev. What makes it necessary to have a END in the file?
(This question seems to have nothing to do with DOS.)

Thanks

Shu




More information about the Wien mailing list