[Pw_forum] About spilling parameter

rjxiao rjxiao at blem.ac.cn
Sun May 8 05:30:58 CEST 2005


Dear users:

When I use the projwfc.x to calculate the DOS,I get the spilling parameter=0.4349. But I found that many letters in this forum shows spilling parameter less than 0.01. Does it mean that I got a wrong result? If the spilling parameter is not right, does it mean the calculated band structure and DOS and other properties all not correct? And what has relationship with spilling parameter? How can I make the calculation correct?

I am looking forward to your reply.Thank you very much.

Best regards,

Sincerely,
Ruijuan Xiao




More information about the users mailing list