[Wien] Please tell me how to solve the error of the lapw2

sunearlier sunearlier at 163.com
Wed Apr 12 10:03:11 CEST 2006


Dear Stefaan Cottenier:
 can you explain this in detail?i don't know how to do.
thank you very much!
Yours
sunearlier




sunearlier
2006-04-12



发件人: Stefaan Cottenier
发送时间: 2006-04-12 15:09:29
收件人: A Mailing list for WIEN2k users
抄送: 
主题: Re: [Wien] Please tell me how to solve the error of the lapw2



>  How  will  i  solve  this  question.  please  help  me.

You  can  solve  it  by  doing  exactly  as  the  error  message  tells  you:

>check  for  ghostbands  or  eigenvalues  below  xx  messages
>adjust  your  energy-parameters  or  use  -in1new  switch,  check  rmts

If  you  don't  know  about  energy-parameters  and  -in1new,  check  Sec.  6.1  of
"DFT  and  the  family  of  ..."  at  http://www.wien2k.at/reg_user/textbooks/  .

Stefaan


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