In case.in1(c), the lapw1 program expects to read a line similar to:
K-VECTORS FROM UNIT:4 -9.0 1.5 187 emin / de (emax=Ef+de) / nband
With regards to the "Invalid k-point file on unit 0" error below, the
important part is:
K-VECTORS FROM UNIT:4
The "K-VECTORS FROM UNIT:" must be there
07.03.2020 15:22, Lyudmila Dobysheva wrote:
So, look at the file in5, send it whole, send also the machines file.
in1, of course. Sorry.
--
Lyudmila Dobysheva
--
http://ftiudm.ru/content/view/25/103/lang,english/
Physics-Techn.Institute,
Udmurt Federal Research Center, Ural
07.03.2020 14:30, pboulet пишет:
I have the following
error message in the lapw1.error files:
'INILPW' - Invalid k-point file on unit 0
I have set few k-points for these calculations: 25 (div: 10 10 1) and
10 (div: 8 8 1), respectively. The cells are tetragonal, with very
large c
Dear all,
I am performing SCF calculations on rather big compounds and for two of them,
containing 27 and 52 inequivalent atoms, I have the following error message in
the lapw1.error files:
'INILPW' - Invalid k-point file on unit 0
I am using Wien2k 18.1.
I have set few k-points for these
Most likely due to a WIEN2k 19.1 bug. Did you apply the fix for that?
Refer to x_lapw.patch in the README at:
https://github.com/gsabo/WIEN2k-Patches/tree/master/19.1
On 3/7/2020 1:20 AM, Rania Afif wrote:
Dear Prof Blaha,
I am running wien version 19.1 on linux mint19.
I start with TiC
Dear Prof Blaha,
I am running wien version 19.1 on linux mint19.
I start with TiC example.
after I runc SCF, the program give this error :
stop error
STOP LAPW2 - Error. Check file lapw2.error
STOP LAPW1 END
STOP LAPW0 END
hup: Command not found.
when I check lapw2.error :
'LAPW2' - can't
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