I've never used calLa_Pre.
Apparently your lattice has fcc structure and this program does not take
this into account.
It is either a programming error or an improper use of the program.
PS: Take the volume which calLa_Pre prints (352.8832 for 1 GPa),
multiply by four and take the
Dear Wien2k developers and users
I have optimized the lattice geometry of a cubic NiTiSn half-Heusler alloys by
using both BPE-GGA and SCAN functionals.
After obtaining the EOS I had generated structure files at different pressure
values in the range from 1 to 15 GPa.
The generated lattice
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