Dear all, I have a question regarding the indexes that give the correspondence between the FFT grid and the array of G vectors, the nl(:). After an nscf calculation, I would like to read these indexes used at each k point in the nscf calculation (I have used the option 'wf_collect=.true.' in the calculations so that data about the calculation is saved). I have looked in the directories of the k points in the outdir/prefix.save directory, in the gkvectors.dat file where data about the G vectors is stored, and there one can find, among other things, the indexes igk(:), 'index of G corresponding to a given index of k+G', but I was not able to find the nl(:) indexes. Neither I could find information about them in the files gvectors.dat or data-file.xml, in the .save directory. I was wondering if the nl(:) indexes are saved somewhere after a calculation, and if so where. Any suggestion will be really appreciated, thanks in advance.
Julen -- ?======================================== Julen Iba?ez Azpiroz Materia Kondentsatuaren Fisika Saila Zientzia eta Teknologia Fakultatea Euskal Herriko Unibertsitatea 644 Posta Kutxatila, 48080 Bilbo, Spain Telefonoa: +34 946015326 Mail: jibanez008 at ikasle.ehu.es ======================================== -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110329/b1a275f6/attachment.htm
