Dear QE developers, Using 'KZK' functional as 'input_dft' with K_POINTS input format of:
K_POINTS (crystal) n xk(1,1) xk(2,1) xk(3,1) wk(1) ... ... gives me following error: --------- from set_finite_size_volume : error # 1 volume is not positive, check omega and/or nk1,nk2,nk3 --------- while no problem with same input file but changing K_POINTS input format to: K_POINTS (automatic) nk1 nk2 nk3 0 0 0 any comments would be appreciated Yours Sam ******************************************** Sam Azadi Institute of Physical Chemistry and Center of Computational Science Johannes Gutenberg University Mainz Staudinger Weg 9 D-55128 Mainz, Germnay ******************************************** -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120502/eb60ea5b/attachment.htm
