od' for
reading at (1): No such file or directorymake: *** [iogrid_netcdf.o] Error
1*
I have also attached my arch.make file which is copied from
http://pelios.csx.cam.ac.uk/~mc321/siesta.html.
Kindly look into this and try to solve my problem
--
warm regards
Amrish Sharma
Ph.D. Rese
and "DRSLL" as "XC.Author". After single point
calculations i have got atomic forces as much higher than from my optimized
geometry in siesta 3.2. i want to know Why i am getting this? Also tell me
does my calculations are accurate or not ?
--
warm regards
amrish sharma
JRF, DST-SERB Research Project
Punjabi University
Patiala (India)
hello users.
while compiling siesta 4.0b serially i get this error
collect2: ld returned 1 exit status
make: *** [siesta] Error 1
if u have any solution kindly let me know. your answer are highly valuable
to me.
--
warm regards
amrish sharma
dear user
i want to plot pdos file. using partial dos block in my fdf i get .pdos
file but i don't know how to proceed further kindly help.
--
warm regards
amrish sharma
hii all users.
I want to study the interaction between different carbon nanoforms. For
that can anybody explain how can i generate vdw pseudos? In atom manual
there is no explanation for this
--
warm regards
amrish sharma
Project Fellow
DST-SERB Project
Punjabi University Patiala
| Spain
> T.: +34 943 57 40 42 | supp...@simune.eu | www.
> simune.eu <http://www.simune.eu/>
>
> On 10 Aug 2016, at 10:19, amrish sharma wrote:
>
> hii all
>
> i unable to generate .band file for my system . i have attached .fdf file
> also. kindly help
>
> --
> warm regards
>
> amrish sharma
>
>
>
>
--
warm regards
amrish sharma
hii all
i unable to generate .band file for my system . i have attached .fdf file
also. kindly help
--
warm regards
amrish sharma
c.fdf
Description: Binary data
0 Ang
>
> Basically you have two atoms on top of each other. Besides being
> non-physical the factorization has problems.
>
> 2016-08-10 9:09 GMT+02:00 amrish sharma :
>
>>
>> when i run my job in siesta after some time i got this error. as a source
>> i have att
LIKE IN L ETC.
On Wed, Aug 10, 2016 at 12:53 PM, Nick Papior wrote:
> Please read the manual from page 71.
>
> Note this is the manual 4.0 located here:
> https://launchpad.net/siesta/4.0/4.0/+download/siesta.pdf
>
> 2016-08-10 8:35 GMT+02:00 amrish sharma :
>
>> hii al
when i run my job in siesta after some time i got this error. as a source i
have attached my outfile also. kindly help in solving this
Error in Cholesky factorisation in rdiag
ERROR STOP from Node:0
Aborted
--
warm regards
amrish sharma
outfile
Description: Binary data
hii all user
i want to know how to get band structure plot in siesta ?
--
warm regards
amrish sharma
hii all
i want to install siesta trunk 462. after creating arch.make file as soon
as i type "make" command it showed message
"make: *** No targets. Stop."
what does this means. how can i compile the code
--
warm regards
amrish sharma
shift parameters. my workstation is not so
> powerful to deal with system like 500 atoms so i don't want to waste time
> while test calculations on these parameters.
> can any one explain an alternate way to get approximate but the accurate
> value of mesh cutt off and energy sh
hii all
i want to know how can i give vander wall potential parameter in my fdf
file.
--
warm regards
amrish sharma
research scholar
Dr.Isha Mudahar group
Punjabi University
Patiala
in an
alternate way to get approximate but the accurate value of mesh cutt off
and energy shift for system consisting 500 atoms.
--
warm regards
amrish sharma
research scholar
Dr. Isha Mudahar group
punjabi university
patiala
ached input file also
with some parameters.
--
warm regards
amrish sharma
c.fdf
Description: Binary data
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