necessary for lapw0 !
> stop error
Please suggest me about the struct file which will give the results
for all like LDA, PBE and mGGAfunctionals
Thanks
--
Abhilash Patra
Research Scholar(Ph.D.)
School of Physical science
NISER,BBSR
___
Wien mailing l
Thanks a lot. Now I am getting all the properties.
On Mon, Feb 13, 2017 at 2:51 PM, wrote:
> Hi,
>
> the position of the atom is not 0 0 0, but 0.125 0.125 0.125
>
> FT
>
> On Monday 2017-02-13 09:18, Abhilash Patra wrote:
>
> Date: Mon, 13 Feb 2017 09:18:37
>>
---
> Dr. Martin Pieper
> Karl-Franzens University
> Institute of Physics
> Universitätsplatz 5
> A-8010 Graz
> Austria
> Tel.: +43-(0)316-380-8564
>
>
>
> Am 13.02.2017 09:18, schrieb Abhilash Patra:
>
>> Dear Wien2k users,
>> I am running WIEN2k_14.
ting error and
nothing is creted in the case.dmatup or -dn files
So I would like to request the experts to suggest me the steps so that I
can fix this problem. Any reply will be greately appreciated,
Sincerely,
Abhilash Patra
Research Scholar(Ph.D.)
School of Physical science
ting error and
nothing is creted in the case.dmatup or -dn files
So I would like to request the experts to suggest me the steps so that I
can fix this problem. Any reply will be greately appreciated,
Sincerely,
Abhilash Patra
Research Scholar(Ph.D.)
School of Physical sciences
Dear Wien2k users,
I want to know which subroutine calculates gradient and Laplacian of the
density or from where an exchange-correlation functional gets 'grho' and
'g2rho'. A quick reply will be very helpful.
Sincerely,
Abhilash Patra
Research Scholar
School of Physical
advance.
Sincerely,
Abhilash Patra
Research Scholar
School of Physical Sciences
NISER,BBSR
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