Dear Espresso experts
I am making my first steps in Espresso. Unfortunately, I am still unable to
make it run. After doing $ configure and $ make pw (Espresso 4), everything
is all right. Howver, if I do
$ /users/sol/risueno/Desktop/espresso-5.0.1-GPU/bin/pw.x < si.scf.in >
si.scf.out
No error message appears, but the scf calculation is not performed. The out
file ends with:
Initial potential from superposition of free atoms
starting charge 9.99966, renormalised to 10.00000
T F
Could anybody help me? Thank you very much
--
--
Dr. Pablo Garc?a Risue?o
Institut f?r Physik, Humboldt Universit?t, Newtonstrasse 15 (Claudia-Draxl
Group), 12489 Berlin, Germany
Tel. +49 030 20937904
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