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
<a href="http://www.democritos.it/pipermail/pw_forum/2003-November/000705.html">http://www.democritos.it/pipermail/pw_forum/2003-November/000705.html</a> , but this can't solve my problem.... My output_tau.f90 source file has been fixed...
<br><br>Thanks very much!!!<br>