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mirror of https://github.com/pfloos/quack synced 2025-05-06 07:05:33 +02:00

set flow to 500 instead of 100 in evRGW

This commit is contained in:
Pierre-Francois Loos 2025-05-04 14:34:20 +02:00
parent 16a897c47c
commit 9b513122b3

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@ -85,7 +85,7 @@ subroutine evRGW(dotest,maxSCF,thresh,max_diis,doACFDT,exchange_kernel,doXBS,dop
! SRG regularization
flow = 100d0
flow = 500d0
if(doSRG) then