[xcrysden] Atoms Info

m masoudnahali at gmail.com
Wed Mar 21 12:10:38 CET 2012


>
> Note that in Quantum-Espresso the meaning of "alat" is extended/misused
> in case of custom-lattice specification (ibrav=0), because in this case
> alat refers to units of celldm(1) and not to units of "length of a
> lattice vector".



  Yes, there is a difference between the "alat" in Quantum Espresso and
XCrysden when "ibrav=0" is used.
  And I meant may be it should be considered by XCrysden when reads such
cases. Best Wishes, m



----------------------------------------
Masoud Nahali, Ph. D Student
International School for Advanced Studies (SISSA)
Sharif University of Technology
masoud.nahali at gmail.com
alum.sharif.edu/~m_nahali
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/xcrysden/attachments/20120321/bd646831/attachment.htm 


More information about the XCrySDen mailing list