[Wien] file

2013-05-04 Thread Mourad Karima
Dear blaha and wien2k user I have done the spin-polarization calculation of charge density  which file I should be taken to draw the plot (up; dn ) for charge density  thanks ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwi

Re: [Wien] MPI Problem

2013-05-04 Thread Laurence Marks
It looks as if your .machines file is OK, I assume that you added the A*** in front for emailing, but Wien2k does not use a hosts file itself. I guess that you are using a server at ibm in almaden. Unfortunately very few people that I know of are running WIen2k on ibm/aix machines which is going to