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okoyecmi
Chukwuemeka Okoye
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Concept, n.: Any idea for which
Dear Wasim,
On 06/12/2013 12:09 PM, wasim raja Mondal wrote:
I have written wien2wannier mail. But I didnot get any reply. So
It is surely not my place to dispense personal advice, but ... Maybe you
should be a little more patient? You wrote me two e-mails *yesterday*
to
I am certainly not an expert in w2w, but I noticed some NaN in the
kpoint_path. This is usually not a good sign. Is it normal?
Oleg
On 12/06/2013 6:09 AM, wasim raja Mondal wrote:
Dear experts
I have written wien2wannier mail. But I didnot get any reply. So
I am writting wien2k
I am certainly not an expert in w2w, but I noticed some NaN in the
kpoint_path. This is usually not a good sign. Is it normal?
Oleg
On 12/06/2013 6:09 AM, wasim raja Mondal wrote:
Dear experts
I have written wien2wannier mail. But I didnot get any reply. So
I am writting wien2k
Hi Rubel
Thanks for your support. I am trying. If I will get success I will let know.
Regards
wasim
On Wed, Jun 12, 2013 at 7:41 PM, Oleg Rubel oru...@lakeheadu.ca wrote:
I am certainly not an expert in w2w, but I noticed some NaN in the
kpoint_path. This is usually not a good sign. Is it
Dear Oleg,
On 06/12/2013 04:11 PM, Oleg Rubel wrote:
I am certainly not an expert in w2w, but I noticed some NaN in the
kpoint_path. This is usually not a good sign. Is it normal?
Good catch, but that cannot explain the error as reported.
These NaNs are in fact due to a bug in write_win
Dear Elias,
Thank you for the reply.
Here is one more guess: mixed units in the provided *win
The following line (begin unit_cell_cart, ang) suggests [Angstr] units,
whereas the numbers are definitely in [Bohr].
Latter (begin atoms_cart), the atomic positions appear in [A].
Thank you
Oleg
Hi oleg
Thanks.
On Wed, Jun 12, 2013 at 9:35 PM, Oleg Rubel oru...@lakeheadu.ca wrote:
Dear Elias,
Thank you for the reply.
Here is one more guess: mixed units in the provided *win
The following line (begin unit_cell_cart, ang) suggests [Angstr] units,
whereas the numbers are
Hi oleg
I solved the problem. I am first time using this. Thats why I wanted some
help. correct me if I am wrong. According to me the reason of the errors
are following :
(1) There was NaN . This was my mistake. I have not given the k-path. I
donot think it is related to any bug. I have given
Dear wien2wannier users experts,
Let me add my problem too in Wasim's mail:
I am facing problems in generating case.nnkp files from wien2wannier even
for a simple perovskites with fcc structure:
Starting from init_w2w, I follow all the steps given in userguide. It
generates the case.win
Hi Madhav
Thanks for taking part in this discussion. The following four thing should
be noticed:
(1) For the generating of *.nkp file, after running Write_win, one has to
run wannier90.x - -pp subdir which will creat the *.nnkp file if you have
used prepare_w2w case subdir. This is not mentioned
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