Dear GM Rai,
will you please send me your directory with the case LiGaTe?
I will try to run x lapw5 manually from terminal.
Tomas
"
Dear Tomas,
Thanks, for your kind reply, we tried for 3 3 3, but the result is same.
Actually, we have made good orthorhombic structure of LaMnO3,
Dear Tomas,
Thanks, for your kind reply, we tried for 3 3 3, but the result is same.
Actually, we have made good orthorhombic structure of LaMnO3, as well as
tetragonal structure of LiGaTe. We optimized and run SCF successfully. In
the Task, We can easily calculate band structure and density of
Hi.u can use Xcrysden to select any plane for plotting its electron density.
regards
**
Nacir GUECHI
Dr. Physique de la matière solide.Enseignant-Chercheur à l'université du Dr.
Yahia FARES de Médéa, Algeria (www.univ-media.dz).Laboratoire
Dear Wien2k user,
I am facing trouble to plot electron density of orthorhombic structure. I
can easily plot electron density for cubic structure having following
planes,
0 0 0 1
0 1 0 1
1 0 1 1
3 2 3
Any one suggest me the planes for orthorhombic structure,
Regards
--
Dr. G. Murtaza
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