gt; en nombre de delamora
<delam...@unam.mx>
Enviado: lunes, 29 de 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
_
lunes, 29 de febrero de 2016 06:10 p. m.
Para: A Mailing list for WIEN2k users
Asunto: Re: [Wien] LOPW error
What rkmax?
On Feb 29, 2016 6:07 PM, "delamora" <delam...@unam.mx<mailto:delam...@unam.mx>>
wrote:
Dear WIEN2k community,
I made a simple hexagonal cell with Gd and
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
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
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 hajar.nejatip...@yahoo.com wrote:
dear dr. Blaha and wien2k users
I have maked a graphane structure
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