10
1
mirror of https://github.com/pfloos/quack synced 2025-05-06 07:05:33 +02:00

reset flow value

This commit is contained in:
Loris Burth 2025-04-26 19:00:20 +02:00
parent de7fc0a1f3
commit 202a31fedb

View File

@ -131,7 +131,7 @@ subroutine complex_qsRGW(dotest,maxSCF,thresh,max_diis,doACFDT,exchange_kernel,d
! SRG regularization
flow = 100d0 ! Check good values
flow = 500d0
if(doSRG) then