[Wien] What should be criteria for selection of RMTs?

2013-01-07 Thread SANJAY KUMAR SINGH
Respected All WIEN2k Users, Greetings! Please comments and give suggestion on two basic question. First question is 1. What should be criteria for selecting radius of muffin tin (RMT) of any atom in WIEN2k code. 2. How can we choose the K-point value in WIIEN2k code. Please spare s

[Wien] What should be criteria for selection of RMTs?

2013-01-07 Thread Stefaan Cottenier
> 1. What should be criteria for selecting radius of muffin tin (RMT) of > any atom in WIEN2k code. http://www.wien2k.at/reg_user/faq/rmt.html > 2. How can we choose the K-point value in WIIEN2k code. increase, increase, increase,... until your property of interest is converged (preferably fo