Hi Wien users,<br>I'm a beginer for wien2k. <br><br>I found that the wien2k program is very sensitive to RMT value. <br>I'm wondering is there a realative standard value for the RMT of each element? <br><br>Another question is about the struct file. You know, for other softwares such as siesta, gaussian, the coordinate format is free, but in wien2k, you have to input the coordinates one by one(x = xx y = xx z= xx). Is there any convenient solution for this?
<br><br>Thanks a lot.<br><br>Zhanyu<br><br>