[Pw_forum] Germanuim [0qq] problem ....

[sprokuda at dnk.ru]

Dear All!
First of all I would like to thank Stefano de Gironcoli and Eyvaz
Isaev for the great help with fftw library. Only with their help I've
succesed to compile PWscf.

but then I got some new problems ...
Trying to run the examples I got "FORTRAN STOP 2" error message in
example2, in single mode caluclations - what could it be and why ?

Nevetheless, I've done caculation for the bulk Si ( on the base of the
example2 scripts) for the high symmetry directions. Everything was
fine.
Then I've tried to run the same for Germanium. I've just modified
 celldm(1) =10.6260

 Ge  72.61  Ge.pz-bhs.UPF
ATOMIC_POSITIONS
 Ge 0.00 0.00 0.00
 Ge 0.25 0.25 0.25

 and corresponding items. For the direction [q00] everything was
 fine, but for [0qq] I got againg   "FORTRAN STOP 2", namely for point
 q = [0 0.1 0.1]. The scpript file I've used for this run is attached.
 One reamrk probubly is important here: the runs for [0qq] took much
 nore time per point then runs for points on [q00].

 Thank you in adavance.
 Prokudaylo Sergey.
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