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vxc

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edoapra 2023-07-18 19:39:21 -07:00
parent 9c10028a63
commit 07a30604db
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src/nwdft/xc/xc_replicated.F
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@ -228,7 +228,7 @@ c
if(.not.xcrep_ga) goto 1984
call ga_zero(k_repxc(ii))
else
xcrep_ga=util_mirrmat(1,g_dens(ii),k_repxc(ii),
xcrep_ga=util_mirrmat(1,g_vxc(ii),k_repxc(ii),
+ .false.,.true.)
if(.not.xcrep_ga) goto 1984