Could you please help to resolve the following error during initialization.
n stop error n
error: command /home/casp/Wien2k/nn nn.def failed
0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
/home/casp/Wien2k/nn: /lib64/libc.so.6: version `GLIBC_2.14' not found
Dear Professor Blaha
Trust you are fine.
We are trying electronic structure of Sb2Te3 by using WEIN2K13. We used
a=4.264, b=4.264 , c=30.458 A. Space group 166_R-3m and atomic positions
for Sb to be (0,0,0.398); Te1 (0,0,0) and for Te2 (0,0,0.787). While
working on 'view structure' with
On 03/17/2016 02:54 PM, Santu Baidya wrote:
> There is module kpath to plot the energy bands coloured by the
> expectation value of the spin along :
> " Error: Problem opening input file wannier.spn Error on node 0:
> examine the output/error files for details"
> Can anyone please help
I have a problem in installing WIEN2K package . I installed Ubuntu
14.04, but I am facing problem while installation of WIEN2K in my
laptop. what I did
tar -xvf WIEN2K_14.2.tar
I obtained all the files,
after this command gunzip *.gz in terminal there appear question Y or
n, I reply y
Interesting question for me
My answer is that when you have small orbitals that do not overlap, like 4f,
mixed with larger orbitals, then they do not contribute to the conductivity.
So optical gap is smaller than electronic gap
You can check wikipedia;
The fourth edition of the International Conference on Advanced Materials
Modelling (ICAMM) will be held in France, at the “Institut des Sciences
Chimiques de Rennes" (ISCR) from Monday, September 5th to Wednesday,
September 7th, 2016. For our Sunday activity we are pleased to
Standard answer. Without the Sb2Te3.struct file it is hard to guess.
Probably a user error, e.g. using Angstroms instead of atomic units in the
file leading to RMTs which are too small.
On Sat, Mar 19, 2016 at 7:23 AM Krisna Swaroop Sharma <
Did you put the positions in hexagonal coordinates?
below you see the struct file with rhombohedral coordinates that does not give
In hexagonal coordinates it gives a structure with atoms too close and probably
you put bohrs then the atoms were far too close
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