Hi, it is well hidden in the documentation but true: you should activate the block
WaveFuncKPoints to make the program really write these coefficients. Good luck, Andrei Postnikov +-- Dr. habil. Andrei Postnikov ----- Tel. +49-541-969.2377 -- Fax .2351 ---+ | Universitaet Osnabrueck - Fachbereich Physik, D-49069 Osnabrueck, Germany | +-- [EMAIL PROTECTED] --------- http://www.home.uni-osnabrueck.de/apostnik/ --+ On Fri, 4 Mar 2005, Fedwa El-Mellouhi wrote: | Hi, | | In the same context, I wanted Wavefuctions for the same tests. | Even if I specify "WriteWaveFunctions .true.", the program | doesn't provide any *.WFS files. | What's wrong ? | | Fedwa | | Le 4 mars 05, à 10:22, Mike F. Lisowski a écrit : | | > Hello Everyone, | > | > I am trying to run Si in Siesta and want to get the wavefunction files | > for | > use with Denchar. I changed the longOutput .true. but I still do not | > seem | > to get the WFS files. What am I doing wrong? | > | > | ******************************************************************* | Fedwa El-Mellouhi tél: +1 (514) 343-6111 ext:1088 | Ph. D. Student fax: +1 (514) 343-2071 | Département de physique | Université de Montréal | C.P. 6128, succ. Centre-ville | Montréal (Québec) H3C 3J7 | Canada [EMAIL PROTECTED] | ******************************************************************* | |
