[xcrysden] Problems reading PWscf output for CVS version
Gabriele Sclauzero
sclauzer at sissa.it
Tue Nov 23 15:50:43 CET 2010
Dear all,
has anyone encountered problem in reading the atomic coordinates
from relaxation runs with PWscf v. > 4.2 (i.e. latest CVS versions)?
Xcrysden seems to read only the initial atomic positions. I'm using
xcrysden 1.5-21 and it works for PWscf outputs up to version 4.2.
I could not attach my output file because of the constraints imposed on
the message size. Anyway you can run example03 in the espresso/examples
directory and try to read any output in the results directory. For me it
works only with v4.2
GS
--
Gabriele Sclauzero, EPFL SB ITP CSEA
PH H2 462, Station 3, CH-1015 Lausanne
--
Gabriele Sclauzero, EPFL SB ITP CSEA
PH H2 462, Station 3, CH-1015 Lausanne
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