[Wien] Re : need clarification on changes in spin magnetic moment in cell after SCF run

Dear Gerhard sir, I have given replies to some of your comments. Please, give me the suggestions on the magnetic state of the system in the present discussion. I would say, you can not draw any conclusion from those numbers without knowledge what atoms that are and without knowledge about the

[Wien] ssh with password authentication

Hi, Can WIEN2k use multiple nodes which do not share memory with each other and requires password to communicate? Yundi ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the

[Wien] NMR calculation results by WIEN2k

Dear all, This is my first experience in running NMR calculations using WIEN2k, and there are some messages produced, which make me me worry if I did it right, so could you please take a look of the following messages produced during running x_nmr_lapw -p and let me how to fix? thank you