Re: [SIESTA-L] Off-topic: Vesta

Hey all, How did you manage the fact that gdis does not actually differentiate the atoms on display ? Eric. On 04/05/2011 01:46 PM, Marcos Veríssimo Alves wrote: Hi all, This has nothing to do with Siesta, strictly speaking, but it could be of general interest: supercell building. I

Re: [SIESTA-L] Off-topic: Vesta

have deleted some of the atoms or not after selecting them. Other options in the export menu only save the unit cell. Regards Sharat Chandra --- On Tue, 5/4/11, Marcos Veríssimo Alves wrote: From: Marcos Veríssimo Alves Subject: [SIESTA-L] Off-topic: Vesta To: siesta-l@uam.es Date: Tuesday, 5

Re: Re: [SIESTA-L] Off-topic: Vesta

. So directly edit the lattice vector does not work. Best. Guangping 2011-04-12 Guangping Zhang 发件人: "Ricardo Faccio" 发送时间: 2011-04-07 09:24 主 题: Re: [SIESTA-L] Off-topic: Vesta 收件人: siesta-l@uam.es Hi Eric The process is as following: Edit-> Structure-> Remove S

Re: [SIESTA-L] Off-topic: Vesta

Hi Eric The process is as following: Edit-> Structure-> Remove Symmetry -> Apply! Remember to save a cif file! Regards Ricardo > Hey Ricardo, > > May I ask you how do you save a structure with the P1 symmetry. > Actually, when I set the symmetry to P1 and save it, it does not seem to > work. > Your

Re: [SIESTA-L] Off-topic: Vesta

Hey Ricardo, May I ask you how do you save a structure with the P1 symmetry. Actually, when I set the symmetry to P1 and save it, it does not seem to work. Yours, Eric. On 04/06/2011 09:52 AM, Ricardo Faccio wrote: Hi Marcos I think that you procedure is fine. The problem with vesta

Re: [SIESTA-L] Off-topic: Vesta

Thanks Ricardo! I'll try to do that and I'll let you know the outcome. Cheers, Marcos On Wed, Apr 6, 2011 at 3:52 PM, Ricardo Faccio wrote: > Hi Marcos > I think that you procedure is fine. The problem with vesta is that it needs > yo save changes by step. I mean, first Open your file and remo

Re: [SIESTA-L] Off-topic: Vesta

Hi Marcos I think that you procedure is fine. The problem with vesta is that it needs yo save changes by step. I mean, first Open your file and remove the symmetry, and get a p1 structure. Then save it as a cif file. Afyer this read this file and perform the transformation, and save it as

Re: [SIESTA-L] Off-topic: Vesta

Hi all, So, great to know there are knowledgeable people on Vesta in the mailing list. My question is the following: I have a cubic structure, a perovskite. I have a [sqrt(2) x sqrt(2)] cell of this structure, with relaxed positions with rotated oxygen octahedra in the x-y plane only, out of which

Re: [SIESTA-L] Off-topic: Vesta

Hi everybody, In the last few months I've been playing with Siesta and I found that both Gdis (CVS version, the stable version lacks of many important options) and Vesta provide useful and complementary features (Gdis opens SIESTA fdf files, this is so handy!!). I hope not to hijack this thread to

Re: [SIESTA-L] Off-topic: Vesta

Hey Marcos, I do, it's a great program. On 04/05/2011 01:46 PM, Marcos Veríssimo Alves wrote: Hi all, This has nothing to do with Siesta, strictly speaking, but it could be of general interest: supercell building. I see many people here use and like GDIS. I have tried to download and compi

Re: [SIESTA-L] Off-topic: Vesta

Hi Marcos I'm using vesta too Regards Ricardo Dr. Ricardo Faccio Prof. Adj. de Física Av. Gral. Flores 2124. CC 1157. CP 11800. Phone: + 598 2 924 9859 Fax: + 598 2 924 1906 Web: http://cryssmat.fq.edu.uy/ricardo/ricardo.htm --

Re: [SIESTA-L] Off-topic: Vesta

Hi Marcos, I'm using Vesta under Windows for plotting but never tried to use it for supercell building. Alex.

[SIESTA-L] Off-topic: Vesta

Hi all, This has nothing to do with Siesta, strictly speaking, but it could be of general interest: supercell building. I see many people here use and like GDIS. I have tried to download and compile it once, but it didn't compile. With the executable version of GDIS that came with Ubuntu, I found