From owner-chemistry@ccl.net Mon Feb 22 12:59:00 2010 From: "Kaliappan Muthukumar muthukumar2k3_+_gmail.com" To: CCL Subject: CCL: POSCAR - Free Software Message-Id: <-41315-100222125711-11868-6sXkud2z1eAQSu4OJYRHSQ%a%server.ccl.net> X-Original-From: Kaliappan Muthukumar Content-Type: multipart/alternative; boundary=000325554592a5cc920480333c78 Date: Mon, 22 Feb 2010 11:50:55 -0500 MIME-Version: 1.0 Sent to CCL by: Kaliappan Muthukumar [muthukumar2k3.:.gmail.com] --000325554592a5cc920480333c78 Content-Type: text/plain; charset=ISO-8859-1 Dear Folks, I am trying to create a VASP POSCAR files with more than 100's atom in my structure. I wish few of these atoms to be frozen and i am able to do that manually. Since, editing becomes cumbersome for more than 100's of atoms, (If i need to work on multiple files) i request any of you to let me know, if you are aware of any '*free*' software that could help me to make VASP Poscar files (with the option to freeze some of the atoms in it). I have information about goVasp and MedeA, but they are not free. Look forward hearing from you. Many thanks in advance. Best regards, Muthu -- Dr. Muthukumar Kaliappan, Post-doctoral Research Assistant Dept. of Chem. and Mater. Engg. University of Cincinnati, Cincinnati, Ohio, USA Phone : 513 787 2720 Email : Kaliappan.Muthukumar#gmail.com --000325554592a5cc920480333c78 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable
Dear Folks,

I am trying to create a VASP POSC= AR files with more than
100's atom in my structure.

I wish few of these atoms to be frozen and i am able to do = that
manually.=A0

Since, editing becomes cumbersom= e for more than 100's of
atoms, (If i need to work on multipl= e files) i request any of you to let me know, if you are aware of
any 'free'=A0software=A0that could help me to make VA= SP Poscar files (with the option
to freeze some of the atoms in i= t).

I have information about goVasp and MedeA, but= they are not free.=A0

Look forward hearing from you.=A0

<= div>Many thanks in advance.

Best regards,
Muthu









=





--
Dr. = Muthukumar Kaliappan,
Post-doctoral Research Assistant
Dept. of Chem= . and Mater. Engg.
University of Cincinnati,
Cincinnati,
Ohio, USA

Phone : 513 7= 87 2720
Email =A0: Kal= iappan.Muthukumar#gmail.com
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