Dear Dr. Kroeker
I increased the NKP parameter in the param.inc file (NKP = 2), then
rebuild wn_readbands and still the same error in program
Thanks in advance,
Wien mailing list
Dear Wien2k User,
I initialized the 2D monolayer at different K points 4*4*1, 5*5*1, 6*6*1,
and 7*7*1 and also varied the energy parameter 0.3 to 1.1 but when i gave
the k points 8*8*1 then it gives the *L2main - QTL-B Error. *So i changed
the E parameter from 0.3 to 1.1 and also the RKmax value
On 12/24/2016 03:24 PM, Dr. K. C. Bhamu wrote:
I compiled Wien2k_16.1 without any error on latest 64 bit Ubuntu OS on
Lenovo laptop with ifort+cc (2015).
If I install with LIBXC, I am getting below error(compile.msg file is
Compile time errors (if any) were:
In most cases where QL-B occurs, the case.struct file is wrong.
There are some cases (samll RMTs), where the default input can give
I have described how to analyse qtl-b errors several times in the
Just the message: qtl-b errors occur, please help; gives us no
The attached hmsec.F for lapwso contains the old and new Scalapack routines.
Add -Dold_scalapack to the parallel compiler options.
Please note: There are cases, where the old Scalapack diagonalization fails.
On 12/23/2016 03:47 PM, cesar wrote:
I'm having a problem to get WIEN2k_16
I am trying to simulate Cu2ZnSnS4 structure. I have done the initialization
and scf run. Now in property calculation i calculated the DOS. However
during optical property calculation i am getting error of "Cannot allocate
array - overflow on array size calculation".
I have used K points
Dear Prof. Blaha and Dr. Kroeker
Thank you for your prompt responses and attached file. As suggested Dr.
Kroeker, I increased the numbers in arbmsh.f. The stars disappeared in
outputkgen files. I also used the wien2k files attached by prof. Blaha and it
works properly. However, I still
To get around the error in xcrysden, you need to increase the NKP
parameter in the param.inc file that comes with the parts of SRC_spaghetti
included with xcrysden (xcrysden-1.5.60/F/SRC_spaghetti/param.inc) and
Dr. Martin Kroeker
Thank you in advance.
I will check your solución as soon as i could but I am pretty sure it will be
Seems like the new mkl does not installs cluster libs under a non-commertial
For now, I ve got no errors during the compilation by using the static
Mail list logo