Read the UG, where it is described in detail how one should proceed.
Am 29.06.2016 um 16:13 schrieb Jing Qun:
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 _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
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