Re: [Wien] convert to grace file

2016-10-04 Thread Peter Blaha
At the moment only the bandstructure creates a grace file. For the next release of wien2k M. Jamal has provided a tool for creating grace files for any data file (and for the DOS in particular). In the meantime, you have to import the corresponding wien2k output files (like case.dos1ev) into

Re: [Wien] convert to grace file

2016-10-04 Thread ‪Amir lot‬ ‪
Dear Prof. Blaha,Thank you very much for your quick response.Can I request please send me this tool by email or when you will release new release of Wien2k?Sincerely,Amir___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.a

Re: [Wien] .machines problem

2016-10-04 Thread John Rundgren
Peter and Gavin, Many thanks for your comments: I realize that a local net is too slow for two computers to make up an efficient cluster; I shall study multi-threading by testing on various codes and different compilers. Regards, John On 10/01/2016 08:21 PM, Gavin Abo wrote: Maybe ping homer