[Wien] Another question about the stop criteria of MSR1a mode

Hu, Wenhao wenhao-hu at uiowa.edu
Thu Nov 20 21:44:12 CET 2014


Hi, Prof. Laurence:

Actually I did have set the first line of inM file to 0.01 mRy/a.u.. And this problem still shows up, is there any other possible mistakes I made? Or is there a method to ignore the stopping criterion in runsp_lapw? Then, I can decide when to stop by myself maybe.

Best,
Wenhao
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