[Wien] 含義: Error related to nlvdw calculations

[tran at theochem.tuwien.ac.at]

Not related to this particular problem, but to the vdW functionals:
the program prepare_xsf_lapw (which is executed just before nlvdW
to generate the density on a uniform mesh) may possibly hang when
executed in parallel. The way to solve the problem is to close
the terminal immediately with the command exit on the same
command line:

run_lapw -nlvdw -ec 0.0001 ... > & STDOUT & ; exit


> Dear Dr. Fabien Tran and Peter Blaha,
>
> Thank you very much for your kind of help. The problem is solved by
> expanding lnsmax to 5 in modules.F? and recompiling the nlvdw package.
>
>Best regards,
>
>Jiawei