From owner-chemistry@ccl.net Fri Apr 22 00:22:00 2016 From: "janl(a)speakeasy.net" To: CCL Subject: CCL: CCL Server IP Address Change Message-Id: <-52150-160422002028-723-U1omvh3cYTJlDvON0M9U2w---server.ccl.net> X-Original-From: janl:+:speakeasy.net Content-Disposition: inline Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=UTF-8 Date: Fri, 22 Apr 2016 00:20:17 -0400 MIME-Version: 1.0 Sent to CCL by: janl,+,speakeasy.net Dear CCL Members, I am changing an IP provider for the CCL List and its Web site. CCL will be served from different IP addresses.This is a slow process. The first step is already done and the nameservers: ns.ccl.net and ns.chemistry.net are running from different IP addresses from the 69.14.11.0/28 subnet and the bridging firewall is ready and running. Once the location of the nameservers propagates, I will switch over the mailserver and web server. Then I will rekey the digital certificates since they depend on IP addresses. Then I will actually replace the old server machine with the new server machine and add www.ccl.net as a physical host rather than alias. Things may be happening in the meantime. On top of this, I will be out of the country for about 3 weeks starting 3rd week of May. The good news is that after the dust settles (and there will be a lot of dust, since I work 12 hours a day at my regular job) the speed will increase dramatically, since I am moving from slow copper wire DSL to the 150mbits in/15mbits out coax network. The downside of this is that now the ISOTE (Internet Scum of the Earth) will try harder and harder to break to my server, since the potential prize for sending spam from my server is much greater due to spead. Luckily they did not break to ccl.net yet (but as you know: "It is not a matter of if, but a matter of when" as we good guys can only react), but I am sure that they will now try harder, while I am getting more an more busy... Best to all of you. Jan -- Jan Labanowski CCL Manager jkl,ccl.net From owner-chemistry@ccl.net Fri Apr 22 12:18:01 2016 From: "Jeya Vimalan jeyavimalan2k,+,gmail.com" To: CCL Subject: CCL: Any free crystal structure prediction codes Message-Id: <-52151-160422121315-19057-j/0Ssb0yig7q0ppCQYmiaQ ~ server.ccl.net> X-Original-From: Jeya Vimalan Content-Type: multipart/alternative; boundary=001a113f99b06196cf0531151ad0 Date: Fri, 22 Apr 2016 09:13:10 -0700 MIME-Version: 1.0 Sent to CCL by: Jeya Vimalan [jeyavimalan2k##gmail.com] --001a113f99b06196cf0531151ad0 Content-Type: text/plain; charset=UTF-8 Dear Colleagues, Can anyone suggest me a *free c*ode (both academics and for industries), that can help us to predict crystal structure for given composition. Thanks and look forward hearing from you. Vimal --001a113f99b06196cf0531151ad0 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Dear Colleagues,

Can anyone suggest me = a free code (both academics and for industries), that can help us to= predict crystal structure for given composition.

= Thanks and look forward hearing from you.
Vimal
--001a113f99b06196cf0531151ad0-- From owner-chemistry@ccl.net Fri Apr 22 13:55:01 2016 From: "Huy Pham pchuy1906##gmail.com" To: CCL Subject: CCL: Any free crystal structure prediction codes Message-Id: <-52152-160422132605-21995-ThLuX4RGXIvpqH2lWax1/w=-=server.ccl.net> X-Original-From: Huy Pham Content-Type: multipart/alternative; boundary=94eb2c03bb26a53a310531161e88 Date: Fri, 22 Apr 2016 10:25:56 -0700 MIME-Version: 1.0 Sent to CCL by: Huy Pham [pchuy1906#gmail.com] --94eb2c03bb26a53a310531161e88 Content-Type: text/plain; charset=UTF-8 Hi Vimal, You can try: USPEX: http://uspex.stonybrook.edu/uspex.html XtalOpt: http://xtalopt.github.io/ CALYPSO: http://www.calypso.cn/ GASP: http://gasp.mse.ufl.edu/ Good luck, Huy On Fri, Apr 22, 2016 at 9:13 AM, Jeya Vimalan jeyavimalan2k,+,gmail.com < owner-chemistry---ccl.net> wrote: > Dear Colleagues, > > Can anyone suggest me a *free c*ode (both academics and for industries), > that can help us to predict crystal structure for given composition. > > Thanks and look forward hearing from you. > Vimal > -- Huy Pham, PhD Postdoctoral Researcher Department of Chemistry and Biochemistry University of California, San Diego 9500 Gilman Drive Urey Hall 4205 La Jolla, CA 92093 E-mail: pchuy1906---gmail.com --94eb2c03bb26a53a310531161e88 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Hi Vimal,
CALYPSO: <= a href=3D"http://www.calypso.cn/" target=3D"_blank">http://www.calypso.cn/<= /a>

Good luck,
Huy

On Fri, Apr 22, = 2016 at 9:13 AM, Jeya Vimalan jeyavimalan2k,+,= gmail.com <owner-chemistry---ccl.net> wrote:
Dear Colleagues,

=
Can anyone suggest me a free code (both academics and for indus= tries), that can help us to predict crystal structure for given composition= .

Thanks and look forward hearing from you.
<= div>Vimal



--
=
Huy Pham,=C2=A0PhD
Postdoctoral Researcher
Department of Chemistry and Biochemist= ry
University of California, San Diego
9500 Gilman Drive
Urey Hall 4205
La Jolla, CA 92093
E-mail:
pchuy1906---gmail.com =

<= /div>
--94eb2c03bb26a53a310531161e88-- From owner-chemistry@ccl.net Fri Apr 22 14:30:01 2016 From: "Marcos Verissimo Alves marcos_verissimo..id.uff.br" To: CCL Subject: CCL: Any free crystal structure prediction codes Message-Id: <-52153-160422134118-27403-jA64+WXLB4eY9uordtNmwg++server.ccl.net> X-Original-From: Marcos Verissimo Alves Content-Type: multipart/alternative; boundary=94eb2c0b1a2644333f05311655be Date: Fri, 22 Apr 2016 14:41:13 -0300 MIME-Version: 1.0 Sent to CCL by: Marcos Verissimo Alves [marcos_verissimo]^[id.uff.br] --94eb2c0b1a2644333f05311655be Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: quoted-printable Hi Vimal, I have never used it, but there is USPEX: http://uspex.stonybrook.edu/ Cheers, Marcos --- Prof. Dr. Marcos Verissimo Alves Prof. Adjunto II, Curso de F=C3=ADsica Computacional Coordenador do Polo 15 do Mestrado Nacional Profissional em Ensino de F=C3=ADsica - SBF/Capes Instituto de Ci=C3=AAncias Exatas Universidade Federal Fluminense Volta Redonda - RJ, Brasil 2016-04-22 13:13 GMT-03:00 Jeya Vimalan jeyavimalan2k,+,gmail.com < owner-chemistry*ccl.net>: > Dear Colleagues, > > Can anyone suggest me a *free c*ode (both academics and for industries), > that can help us to predict crystal structure for given composition. > > Thanks and look forward hearing from you. > Vimal > --94eb2c0b1a2644333f05311655be Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Hi Vimal,

I have never used it, but the= re is USPEX:=C2=A0http://uspex.sto= nybrook.edu/

Cheers,

= Marcos

---

Prof. Dr. Marc= os Verissimo Alves
Prof. Adjunto II, Curso de F=C3=ADsica Computacional=
Coordenador do Polo 15 do Mestra= do Nacional Profissional em Ensino de F=C3=ADsica - SBF/Capes
Instituto de Ci=C3=AAncias Exatas
Universidade Federal Fl= uminense
Volta Redonda - RJ, Brasil
=

2016-04-22 13:13 GMT-03:00 Jeya Vimalan jeya= vimalan2k,+,gmail.com &l= t;owner-chemis= try*ccl.net>:
Dear Colleagues,

Can anyone suggest me a free code (both academics and for industries), that can help us to predict crys= tal structure for given composition.

Thanks and lo= ok forward hearing from you.
Vimal

--94eb2c0b1a2644333f05311655be--