Dear all, The "WAN90_example" is ok in test "stand-alone" mode, but failed in "library mode". Error message is : " Wannier mode is: library
Setting up... MP grid is 4 x 4 x 4 - Number of atoms is ( 2) - Number of wannier functions is ( 0) %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% from setup_nnkp : error # 1 wrong excluded band index %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% from setup_nnkp : error # 1 ..." I am sure I have compiled pw2wannier90.x with -D__WANLIB and libwannier.a. How can I solve this proplem? 2011-08-12 lilonghua -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110812/856e3705/attachment.htm