[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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