<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><DIV>Dear all</DIV>
<DIV>which parameters should be optimized sequencly in a scf runing? the parameters are celldm(1),ecutwfc, ecutrho,mixing-beta and K-points.</DIV>
<DIV>another problem is that for optimizing the ecutwfc the system converges for some numbers and it doesn't for some more. I have to mention that there is overlap in davidson diagonalization. </DIV></div><br>
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