Please check:
$WIENROOT/SRC_lapw0/compile.msg
Any errors/warnings during compilation ?
Look into case.clmsum.
Do you see "normal" numbers, or are they all zero (or nan) ??
Maybe post case.struct and case.in0 so that we can check your basic
input files.
Am 08.01.2021 um 07:20 schrieb
08.01.2021 10:20, Ramazan KATIRCI wrote:
- I am running wien version 19.2 on a machine of Intel(R)Xeon(R) W-2125 CPU @
4.00GH with
Ubuntu 20.04.1 LTS WSL on Windows professional workstation, fortran compiler
ifort and math libraries mkl.
I boutght this software (wien2k 19.2) 2-3 weeks ago. I
08.01.2021 09:52, upasana chauhan wrote:
I was doing elastic calculations for cubic structure. I found this error
while doing initialization for tetra.
---
ERROR !!! nstop,iter,tets,test 362 2
Most likely the tetragonal distortion splits some atoms.
Therefore tetra.inst does not fit tetra.struct
Remove tetra.inst (rm tetra.inst)
and initialize again.
Am 08.01.2021 um 06:52 schrieb upasana chauhan:
Dear users,
Greetings !
I was doing elastic calculations for cubic structure. I
Let's start with basics. You say that you could not install it. What errors
are you getting when you try and compile using the configure script in the
WIENROOT directory?
_
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought",
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