Yes, this " -rwxrwxr-x" is for all executables in Wien2k.
Bhamu
On Thu, Nov 17, 2016 at 10:05 AM, Víctor Luaña Cabal <
vic...@fluor.quimica.uniovi.es> wrote:
> On Thu, Nov 17, 2016 at 11:05:21PM +0530, Dr. K. C. Bhamu wrote:
> > Thank you Dr. Víctor for suggestion.
> > But, it could not helped
On Thu, Nov 17, 2016 at 11:05:21PM +0530, Dr. K. C. Bhamu wrote:
> Thank you Dr. Víctor for suggestion.
> But, it could not helped me.
> I ran the chmod -R ugo+r,a+X * command in the Wien2k dir and the problem
> is still same:
>
> -rwxrwxr-x for all files.
Do you mean that every file has those
Thank you Dr. Víctor for suggestion.
But, it could not helped me.
I ran the chmod -R ugo+r,a+X * command in the Wien2k dir and the problem
is still same:
-rwxrwxr-x for all files.
regards
Bhamu
On Thu, Nov 17, 2016 at 10:07 PM, Víctor Luaña Cabal <
vic...@fluor.quimica.uniovi.es> wrote:
> On
High Komal,
please consult the LAPWDM sections in the user guide. There calculation
of the orbital moment is explained.
Best regards,
Martin Pieper
---
Dr. Martin Pieper
Karl-Franzens University
Institute of Physics
Universitätsplatz 5
A-8010 Graz
Austria
Tel.: +43-(0)316-380-8564
Am 17.1
On Thu, Nov 17, 2016 at 01:03:48PM +0530, Dr. K. C. Bhamu wrote:
> Dear Users,
>
> While playing with unix commands on my machine, I lost permission of all
> Wien2k commands. Because of this I am not able to run any Wien2k commands.
>
> I am getting the following permissions for all commands:
>
I cannot reproduce the problem you sent. sgroup runs through without
problems. However:
Your cif file is from VESTA and I'm not sure if the WIEN2k14.1
cif2struct can work with VESTA files correctly. My new one can do.
Your cif file is "inaccurate" and since it is P1, our setup cannot fix
it.
So you are using the ifort version with the unformatted file read bug.
Based on the Intel page at the link in the previous post below, did you
try recompiling lapwso_mpi with -O0 or revert to one of the versions of
ifort that Intel mentioned to see if it fixed the problem or not?
On 11/14/201
A thought when reading your description of the cases that might give
troubles:
Of course it could simply be that you have so steep bands that one
does not catch an empty band within 1.5+EF Ry. In this case one has to
increase EMAX in case.in1. And yes, if this really happens, one should
give a
Dear Wein users
I am using mBJ potential to perform spin-polarised calculations on a
perovskite structure. The scf file shows spin magnetic moment. Can I have
the info about its orbital moment also using "runsp" command as I have used
or I need to give some more command .
Please reply
Regards
--
Dear Sir,
I have computed the Electronic and optical properties of AlN monolayer
which is matched with the available results and in the next step i
want to perform
same exercise for InN but in the initialization, space group of the
InN monolayer
couldn't find and error occurs like
Error lat==H
Dear Users/Prof. Peter
Please confirm the unit of wave vectror (horizontel axis in band
structure): Is it in k [2*pi/bohr] or in k [pi/m]?
I am consedring it a 2*pi/bohr.
My purpose it to calculate effective mass. So, considering it in
2*pi/bohr, I am converting into pi/m (m is meter) and th
17.11.2016 11:33, Dr. K. C. Bhamu wrote:
While playing with unix commands on my machine, I lost permission of all
Wien2k commands. Because of this I am not able to run any Wien2k commands.
I am getting the following permissions for all commands:
-rwxrwxr-x" .
How to get rid off this problem?
I
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