yes, but for newer version 1.0, I am using wplot2xsf. I have attached two
file.
On Tue, Mar 10, 2015 at 5:05 PM, Elias Assmann elias.assm...@gmail.com
wrote:
On 03/10/2015 10:09 AM, wasim raja Mondal wrote:
*xsfAll.sh subdir_final*
If you are using wien2wannier 1.0 now, note that
Hi,
Fabien Tranb already answered to you:
For -hf you must set SCRATCH=./
You CANNOT USE /home/matstud/WIENSCRATCH/as scratch.
In addition: run a small example first. (Something like MgO,.. maybe a
4 times larger cell of MgO (P instead of F in a 1x1x1 supercell) and
find out the
Hi, Mondal.
Could you try to delete _ in the name of your files?
for example..,
[abc_qwe.vector] → [abcqwe.vector]
I had a similar experience to you (for old version of w2wan).
Have a nice day.!
- Kyohn
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On 03/11/2015 07:24 AM, wasim raja Mondal wrote:
wplot2xsf.py subdir_final 2 o.out
I think wplot2xsf.py is still the pre-1.0 incarnation of wplot2xsf_lapw
(as it is known in the new Wien2k distribution). Two suggestions if you
want to use the new version now:
* Remove the old wien2wannier
Hi Kyhon,
Just now I have solved the issue this way. Thanks a lot.
Regards
wasim
On Wed, Mar 11, 2015 at 2:01 PM, Kyohn Ahn kyohn1...@gmail.com wrote:
Hi, Mondal.
Could you try to delete _ in the name of your files?
for example..,
[abc_qwe.vector] → [abcqwe.vector]
I had
Glad you could solve the problem.
Could you clarify what happened? If a bug like this exists in the
current version of wplot2xsf, I would like to fix it.
Elias
On 03/11/2015 09:33 AM, wasim raja Mondal wrote:
Hi Kyhon,
Just now I have solved the issue this way.
Dear WIEN2k users,
I want to calculate the EEL spectra of phosphorus.
In particular, I would be interested in simulate the spectrum in the range
between 120 and 220 eV, which should include both L23 (around 132 eV) and
L1 (around 189 eV) edges.
The problem is that with TELNES I can select only one
The small bump you are seeing in your L23 calculation is indeed NOT the L1
spectrum. You must calculate that separately. Each calculation of telnes
calculates only excitations from the specified core state.
There is no automated way. It seems easy enough to just calculate twice and add
the
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