[CPMD-list] Wannier orbital calculation

Rongjian Sa rjsa at mail.shcnc.ac.cn
Tue Mar 25 13:50:26 CET 2003


I appreciate the kind help from Apsi and Christel!
I can start my calculation. But I want to know how to choose 
"the numbers of the wanniers you are especially interested ".There are 
so many functions of them. Also they will occupy large hard disk volume.
Thank you!
Sincerely,
Rongjian
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