Hi,
When calculating DOD, sometimes i facing a following problem:
for Commandline:
*x tetra -p *
covered volume (%) 0.000E+000
LEGAL END TETRA
3.8u 0.0s 0:03.91 99.4% 0+0k 0+248io 0pf+0w
Here all values are zero
or
covered volume (%) 100.
LEGAL END TETRA
4.3u 0.0s 0
Dear wien2k users,
We have completed SCF of a system successfully. But after achieving
convergence when we go for DOS calculation, the following error occurs
(after the command X lapw2 -qtl -c -up):
forrtl: severe (24): end-of-file during read, unit 29, file
/home/shamik/Desktop/filename/fi
You need to calculatelapw1 -dnfirst
Am 02.01.2012 10:34, schrieb shamik chakrabarti:
> Dear wien2k users,
>
>We have completed SCF of a system successfully. But after achieving
> convergence when we go for DOS calculation, the following error occurs (after
> the command X lapw2 -
Hi,
When calculating DOS, sometimes i facing a following problem:
for Commandline:
*x tetra -p *
covered volume (%) 0.000E+000
LEGAL END TETRA
3.8u 0.0s 0:03.91 99.4% 0+0k 0+248io 0pf+0w
Here all values are zero
or
covered volume (%) 100.
LEGAL END TETRA
4.3u 0.0s 0
It is difficult to help with this kind of information, but 2 hints I can
give you:
a) x tetra -p !!! tetra does not take a -p switch. Do
x tetra -h to see all possible switches for tetra.
However, most likely, this switch did not produce an error.
b) Most likely your case.int
Thanks
في الثلاثاء، 22 ديسمبر 2020 13:18 Peter Blaha
كتب:
> It is difficult to help with this kind of information, but 2 hints I can
> give you:
>
> a) x tetra -p !!! tetra does not take a -p switch. Do
> x tetra -h to see all possible switches for tetra.
> However, most like
envoyez moi fichier struct, nbres de pts utilisé et rkmax.bonne journée
Le lundi 21 décembre 2020 à 21:29:57 UTC+1, abderrazek khireddine
a écrit :
Hi,When calculating DOD, sometimes i facing a following problem:for
Commandline: x tetra -p
covered volume (%) 0.000E+000
?Using MBJ the potential (with optimized parameters lattice obtained from
GGA), I want? calculate DOS for GaAs, but at to run x lapw2-qtl-c, I get the
following error.
Commandline: x lapw2 -qtl -c
forrtl: severe (64): input conversion error, unit 1001, file
/home/maligno/WIEN2K_11/scratc
Dear developers and users
I am using wien2k 17.1 version. I recently completed scf calculation without
any error (runsp_lapw -p -i 140 -ec 0.1 -cc 0.0001 -NI).
Now I tried calculation of DOS. But when I try x lapw2 -p -up -qtl I am
getting the following error.
running in single mode
fo
Dear Prasad,
case.vectorup/dn must be present in the scratch directory, not in the
working directory.
Best,
William
Le 31/07/2018 à 19:55, prasad jayasena a écrit :
Dear developers and users
I am using wien2k 17.1 version. I recently completed scf calculation
without any error (runsp_lap
Dear William
Thank you. The calculation is running now. Hope it will finish smoothly
Is there a way to set this vector files to generate in the proper place instead
of in the working directory? (Or to set DOS to get the files from working
directory?)
Thank you again for the prompt reply
P
case.vector* files are located into the SCRATCH directory. If you would
like to redefine it for a specific job, you can add the option "-scratch
directory_name" to the run_lapw command (Section 5.1.4 UG).
Best,
William
Le 31/07/2018 à 20:16, prasad jayasena a écrit :
Dear William
Thank yo
Dear William
Thank you. I got it.Prasad
On Tuesday, July 31, 2018, 12:27:57 p.m. CST, William Lafargue-dit-Hauret
wrote:
case.vector* files are located into the SCRATCH directory. If you would like to
redefine it for a specific job, you can add the option "-scratch
directory_name"
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