Open benroberts999 opened 10 months ago
Note: Dzuba code has same issue with TDHF (though gives different number again):
w = 0.04175221
Iteration # 1 Delta=0.1442E-10 eps=0.1000E-09
matv: -0.816497 <-1 6|V| 1 6>= 0.503706E+01 0.584510E+01
matv: -0.816497 < 1 6|V|-1 6>= 0.503706E+01 0.422902E+01
w = 0.04358263
Iteration # 1 Delta=0.1717E-10 eps=0.1000E-09
matv: 1.154701 <-1 6|V|-2 6>= -0.706618E+01 -0.803144E+01
matv: -1.154701 <-2 6|V|-1 6>= 0.706618E+01 0.610092E+01
At the very least, issue probably has something to do with incorrect sign for omega (that seems to be part, but not the fill problem): See output: e1-v.txt
Full code input/output: E1_LvsV.txt