[Pw_forum] Crystal coordinates output

Ary Junior aryjunior at gmail.com
Tue Nov 13 19:15:18 CET 2007


Hi! I'm having a problem with PWSCF v.3.2.2... when I run a calculation with
a hexagonal structure without optimization, the crystall coordinates in
output file aren't the same as the input file... when I open both on
XCrysden I check this...  I've found the thread
http://www.democritos.it/pipermail/pw_forum/2003-November/000705.html , but
this can't solve my problem.... My output_tau.f90 source file has been
fixed...

Thanks very much!!!
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