[Pw_forum] Self-Interaction-Correction (SIC

[Xunlei Ding]

Dear hongxia,

When you generate PP, you can set "isic= 1" to include the SIC (see INPUT_LD1 in
$espresso/atomic_doc).
Maybe you can test some suitable PP including SIC if you can find some on Web.

Yours, 
Ding


Quoting ½ªÐ¡Íñ ½ª <wjhongxia at yahoo.com.cn>:

> Dear users,
> I need include the Self-Interaction-Correction (SIC) in the calculation, and
> i found SIC need to be included by myself, but I'm a new user of pw. So can
> you help me? i'll be appreciate your help.
> yours sincerely,
> hongxia
> 
>  __________________________________________________
> ¸Ï¿ì×¢²áÑÅ»¢³¬´óÈÝÁ¿Ãâ·ÑÓÊÏä?
> http://cn.mail.yahoo.com




----------------------------------------------------------------
  SISSA Webmail https://webmail.sissa.it/
  Powered by Horde http://www.horde.org/