- Original Message -
From: "Hongsheng Zhao" <zhaohs...@yahoo.com.cn>
To:
Sent: Sunday, July 17, 2011 3:54 PM
Subject: Re: [Pw_forum] Input file for MgB2C2.
On 07/17/2011 02:38 PM, Eyvaz Isaev wrote:
>
> > I want to construct the corresponding crys
--
>>> Prof. Eyvaz Isaev,
>>> Department of Physics, Chemistry, and Biology (IFM), Linkoping
>>> University, Sweden
>>> Theoretical Physics Department, Moscow State Institute of Steel &
>>> Alloys, Ru
>> Prof. Eyvaz Isaev,
>> Department of Physics, Chemistry, and Biology (IFM), Linkoping
>> University, Sweden
>> Theoretical Physics Department, Moscow State Institute of Steel &
>> Alloys, Russia,
>> isaev at ifm.liu.se, eyvaz_isaev at yahoo.com
* Hongsheng Zhao
> *To:* PWSCF Forum
> *Sent:* Sunday, July 17, 2011 7:24 AM
> *Subject:* [Pw_forum] Input file for MgB2C2.
>
> Hi all,
>
> I obtain the xyz format crystal structure information for MgB2C2 - with
> the spacegroup of Cmca (#64) - from the following webpage:
&
Hi all,
I obtain the xyz format crystal structure information for MgB2C2 - with
the spacegroup of Cmca (#64) - from the following webpage:
http://cst-www.nrl.navy.mil/lattice/struk.xmol/mgb2c2.pos
The contents of this file is as follows:
102
Mg B_2 C_2 & Cmca D_{2h}^{18} #64
ohs...@yahoo.com.cn>
To: pw_forum at pwscf.org
Sent: Sunday, July 17, 2011 11:54 AM
Subject: Re: [Pw_forum] Input file for MgB2C2.
On 07/17/2011 02:38 PM, Eyvaz Isaev wrote:
>
>? > I want to construct the corresponding crystal structure information for
>? > pwscf based on the abo
Hongsheng Zhao <zhaohs...@yahoo.com.cn>
To: PWSCF Forum
Sent: Sunday, July 17, 2011 7:24 AM
Subject: [Pw_forum] Input file for MgB2C2.
Hi all,
I obtain the xyz format crystal structure information for MgB2C2 - with
the spacegroup of Cmca (#64) - from the following webpage:
http://cst-
