febrero de 2016 06:39 p. m.
Para: A Mailing list for WIEN2k users
Asunto: Re: [Wien] LOPW error
I was doing H2O and I had r*k max =2 which is too low...
so I put r*k max=7 and it ran
Thank you
De: wien-boun...@zeus.theochem.tuwien.ac.at
en nombre de Laurence
Asunto: Re: [Wien] LOPW error
What rkmax?
On Feb 29, 2016 6:07 PM, "delamora" mailto:delam...@unam.mx>>
wrote:
Dear WIEN2k community,
I made a simple hexagonal cell with Gd and O;
-
Title
H LATTICE,NONEQUIV.ATOMS: 2
MODE OF CALC=RELA unit=ang
6.
What rkmax?
On Feb 29, 2016 6:07 PM, "delamora" wrote:
> Dear WIEN2k community,
> I made a simple hexagonal cell with Gd and O;
> -
> Title
> H LATTICE,NONEQUIV.ATOMS: 2
> MODE OF CALC=RELA unit=ang
> 6.614044 6.614044 10.960416 90.00 90.00120.00
> ATOM
Dear WIEN2k community,
I made a simple hexagonal cell with Gd and O;
-
Title
H LATTICE,NONEQUIV.ATOMS: 2
MODE OF CALC=RELA unit=ang
Please search the mailing list. A fix was posted for this before.
On 05/01/2013 09:58 AM, Hajar Nejati wrote:
dear dr. Blaha and wien2k users
I have maked a graphane structure with atom by atom positions in unit
cell (for core hole approximate).
when I run scf, this error appears:
** Error in
Try increasing RKMAX.
There is a patch being tested which Peter Blaha has developed -- he
will respond if increasing RKMAX does not work for you.
On Wed, May 1, 2013 at 2:58 AM, Hajar Nejati wrote:
> dear dr. Blaha and wien2k users
> I have maked a graphane structure with atom by atom positions
dear dr. Blaha and wien2k users
I have maked a graphane structure with atom by atom positions in unit cell (for
core hole approximate).
when I run scf, this error appears:
** Error in Parallel LAPW1
Error in LAPW1
'LOPW' - Plane waves exhausted
Error in LAPW1
'LOPW' - Plane waves exhausted
Check the mailing list.
I'm pretty sure this was discussed before, and even exactly for the In2O3 case.
Am 11.11.2011 16:29, schrieb ali ghafari:
> Dear Prof. Blaha
>
> I did successful calculation for In2O3 with 400 K-point but when I changed
> only K-point to 3 while others parameter were
Dear Prof. Blaha
I did successful calculation for In2O3 with 400 K-point but when I changed only
K-point to 3 while others parameter were same as before. I got LOPW error.
I couldn't find any information about it in the UG and mailing list.
Best Regards
?Ali
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