[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
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