Dear all, I would like to know if the step-like aspect of a DOS calculated with the tetrahedron interpolation is what is expected to be. Please, take a look at the figures attached. I would expect something soft or at least a polygonal line with slope.
I have looked at flib/dost.f90 and checked that the interpolation formulae are the same of the Bloechl's article OK. I am sorry to ask such a basic question, but I am puzzled since a long time, and tired of soften the stepped line with an additional program. Thanks in advance -- Eduardo Menendez Proupin Departamento de Qu?mica Fisica Aplicada Facultad de Ciencias Universidad Aut?noma de Madrid 28049 Madrid, Spain Phone: +34 91 497 6706 On leave from: Departamento de Fisica, Facultad de Ciencias, Universidad de Chile URL: http://fisica.ciencias.uchile.cl/~emenendez "*Padece, espera y trabaja para gentes que nunca conocer? y que a su vez padecer?n, esperar?n y trabajar?n para otros, que tampoco ser?n felices, pues el hombre ans?a siempre una felicidad situada m?s all? de la porci?n que le es otorgada. Pero la grandeza del hombre est? precisamente en querer mejorar lo que es. En imponerse Tareas. En el Reino de los Cielos no hay grandeza que conquistar, puesto que all? todo es jerarqu?a establecida, inc?gnita despejada, existir sin t?rmino, imposibilidad de sacrificio, reposo y deleite. Por ello, agobiado de penas y de Tareas, hermoso dentro de su miseria, capaz de amar en medio de las plagas, el hombre puede hallar su grandeza, su m?xima medida en el Reino de este Mundo*". Alejo Carpentier, El reino de este mundo, (1949). Translate from spanish here http://translate.google.com/?hl=&ie=UTF-8&text=&sl=es&tl=en -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111209/946491a6/attachment-0001.htm -------------- next part -------------- A non-text attachment was scrubbed... Name: dos-tetra.jpeg Type: image/jpeg Size: 42328 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20111209/946491a6/attachment-0002.jpeg -------------- next part -------------- A non-text attachment was scrubbed... Name: dos-tetra2.jpeg Type: image/jpeg Size: 33191 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20111209/946491a6/attachment-0003.jpeg