[Pw_forum] help entreaty
sprokuda at dnk.ru
Tue Dec 9 11:43:50 CET 2003
Dear PWscf users!
With my PWscf (1.1.2 ifc7.1 Blas-Lapack from netlib.org, AMD Duron
1300 - RedHat 7.2) already for several monthes I try to get some
results on phonon dispersion on Ge. These calculations are pretty
important for preparation of the neutron scattering experiments on
phonon liftimes measurements in Ge.
I get from time to time negative frequencies from PWscf. I have no
idea what to do futher in this concern. The archive is attached to
this mail - there are several scripts within. Could somebody run these
scripts and send me back the results?
These calculations are rather huge, and on my machine it takes
6-7hours to run one bash script.
Sincerely yours, Prokudaylo Sergey.
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