experimental modes, i.e.
constant current and constant height modes.
Thanks in advance
Gang Li
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wien2k with these unit vectors?
best,
Gang
On Mon, Oct 28, 2013 at 10:29 PM, Gang Li gangli@gmail.com wrote:
Dear Oleg
Thank you so much. This is exactly what I want to know. Once a time, I
thought to have wien2k to skip the symmetry analysis, however, I
encountered some other problem
)) and alpha,beta,gamma (as
angles between your basis vectors).
In addition you have to transform the positions of As into fractions of
these vectors
On 10/29/2013 09:13 AM, Gang Li wrote:
Dear all,
As a follow-up question, taking GaAs as an example, if I actually
want to work
will then be done without symmetry.
On 10/29/2013 10:18 AM, Gang Li wrote:
Dear Prof. Blaha
Thank you for your reply. This is actually a 'have-to' in my case,
as these unit cell vectors are convenient for me to construct a slab
(from the maximal localized wannier function) with surface at
z
Dear wien2k experts:
I am wondering if it is possible for wien2k to run with conventional
cell instead of primitive cell? If it is, could anyone figure out to me
how this is realized in practice.
thanks,
Gang
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:1.000 0.000 0.000
0.000 1.000 0.000
0.000 0.000 1.000
1 NUMBER OF SYMMETRY OPERATIONS
1 0 0 0.
0 1 0 0.
0 0 1 0.
1
On 28/10/2013 4:06 PM, Gang Li wrote:
Dear wien2k experts:
I am
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