[Wien] (no subject)

Jing Qun qunjing at hotmail.com
Wed Jun 29 16:13:08 CEST 2016


Hi,
Can anyone tell me how to perform the local mBJ?

In $WIENROOT/SRC_lapw0/vxclm2.f, it said:
! potential option 30: "local" modified Becke-Johnson for the exchange potential and
!                      LDA for the correlation potential.
!                      LDA for the exchange-correlation energy functional.
But when I set indxc=30 in case.in0, or indxc=30 in case.in0_grr, the error message is:
Unknown potential option
I don’t know how to do the local mBJ using indxc=30, can anyone kindly tell me how to?
Yours
Qun
发送自 Windows 10 版邮件<https://go.microsoft.com/fwlink/?LinkId=550986>应用

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