Re: [Wien] Wien2k installation problem

Hi Gavin why -pthread instead of -lpthread ? The threading library is libpthread and should be linked with -lpthread ! I remembre that I made some ten years ago the remark on that: On SUSE systems (at thae time it was 9.2 and older) one can have a very comfortable setup of the linker such that

[Wien] List of WIEN2k users

Dear Peter, Could you please add my student Brendan Morningstar (Email address: bx_mornings...@laurentian.ca) to the list of WIEN2k users. He will be using WIEN2k. He is copied on this email. Best regards, Dr. Mohamed Azzouz, Professor Department of Physics Laurentian University 935

Re: [Wien] Charge convergence necessity

Dear Prof. Marks, Thank you very much for your answer !! All the best, Luis 2015-07-15 21:26 GMT-03:00 Laurence Marks l-ma...@northwestern.edu: I don't think I can give a complete answer, but I will make one point. It can easily happen that the energy convergence

[Wien] Charge convergence necessity

Dear Wien2k community, I would like to know in which situations the charge convergence is really necessary. All the best, Luis ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at

Re: [Wien] Wien2k installation problem

Dear Gerhard and Shamik, Ok, sorry, I did not think too much into it. In siteconfig, 1) selected S specify a system and ILinux (Intel ifort compiler (12.0 and later) + mkl ) 2) selected O specify compiler options, BLAS and LAPACK, and it gave: Recommended options for system linuxifc