[Wien] k points scaling

[jadhikari@clarku.edu]

Dear Wien users,
It runs fine when using 40 k points without any error for 13 complete
cycles for Lithium Niobate. And increasing the number of k points to,
let's say 100 also goes fine. But when going for higher number of k
points, the system gets stopped at LAPW1 and never moves forward. This
kind of error I have found for other systems also. I have checked for
ghosts bands but it is of no help as the system is always stuck.

Also, sometimes the .machines files are not present, even though the code
is  clearly written. This happens occasionally, there being times when the
same code can generate the .machines files and the calculations converges.

My questions are-
1. For the case with higher number of k points after the calculation for
smaller number of k points converges, should I just increase the k points
and run x dstart from the same directory? There must be something that I
am missing here.
2. Regarding -in1new switch, how about it for higher number of k points?
Should it be used for each calculation with different number of k points?
3. .machines files are not always created by PBS script in my setups. What
could be the reason for this unpredictable thing?

I would be very thankful for your help with these basic questions.
Happy holidays.
Subin