[Wien] phonon

2016-07-13 Thread Dr Antonio Vanderlei dos Santos
Dear I'm trying to get Phonon program, sent e-mail but got no answer, someone help me. -- []'s Dr Antonio Vanderlei dos Santos [1] Links: -- [1] http://santoangelo.uri.br ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http

Re: [Wien] [SPAM?] optical properties

2016-06-16 Thread Dr Antonio Vanderlei dos Santos
mitted and absorbed. > > Best, > Lenka > > On Thu, Jun 16, 2016 at 01:40:17PM -0300, Dr Antonio Vanderlei dos Santos wrote: > >> Dear. I wonder about the optical properties. It is not clear to me what it means The results and figures. Can someone help me? -- []'s Dr Antonio

[Wien] [SPAM?] optical properties

2016-06-16 Thread Dr Antonio Vanderlei dos Santos
Dear. I wonder about the optical properties. It is not clear to me what it means The results and figures. Can someone help me? -- []'s Dr Antonio Vanderlei dos Santos [1] Links: -- [1] http://santoangelo.uri.br ___ Wien mailing list Wien

[Wien] electronic density

2016-06-09 Thread Dr Antonio Vanderlei dos Santos
- I wonder about: On how to interpret the figures of electronic density. Where do I find references? Thank you - []'s Dr Antonio Vanderlei dos Santos [1] Links: -- [1] http://santoangelo.uri.br ___ Wien mailing list Wien

[Wien] PBEsol

2015-10-29 Thread Dr Antonio Vanderlei dos Santos
Dear I would like to understand the GGA-PBEsol theory. What better literature? -- []'s Dr Antonio Vanderlei dos Santos [1] Links: -- [1] http://santoangelo.uri.br ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http

[Wien] labels

2014-06-24 Thread Dr Antonio Vanderlei dos Santos
Dears users: I would like to know what is the physical meaning of the labels on the plot of the electron density (when is useed the option Contur-plot) ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at

[Wien] diamond

2014-04-02 Thread Dr Antonio Vanderlei dos Santos
Dear users. I'm working with the carbon atom, but I'm not consequindo exaconal calculate the structure of the diamond. Could someone Diser me which structure can I use? ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at