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,
Arena
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Hi,
Thank you in advance.
I will check your solución as soon as i could but I am pretty sure it will be
fine.
Seems like the new mkl does not installs cluster libs under a non-commertial
license.
For now, I ve got no errors during the compilation by using the static
libscalapak.a from
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
rebuild wn_readbands
--
Dr. Martin Kroeker
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
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:
Hi,
I'm having a problem to get WIEN2k_16
Dear all
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
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
problems.
I have described how to analyse qtl-b errors several times in the
mailing list.
Just the message: qtl-b errors occur, please help; gives us no
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:
Dear Users,
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
attached here):
Compile time errors (if any) were:
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