Hello,
I have a calculation with initial state of Ge with a 3d hole and final state of a 2p hole. I am trying to do the E1 transitions between these two states. rtransition runs perfectly with 381 transitions calculated. Also, it seems as though my energylabel
When I run rtabtrans1 like:
$GRASP/bin/rtabtrans1 << EOF
Ge_L23-4p.cm
Ge_M45-4p.cm
12
12
EOF
I get the following error: "Too many states with the same label". However, some valid appearing energylabel.latex table has been generated.
When I run rtabtrans2 like:
$GRASP/bin/rtabtrans2 << EOF
Ge_L23-4p.Ge_M45-4p.ct
0
1e4
1e-4
y
3
EOF
I get the following at the end of the outputs in the terminal:
...
Quantum labels for states 45 47 equal
Quantum labels for states 46 48 equal
Some quantum states have equal labels
Update energylabel file and rerun
Questions:
- What does it mean by "update energylabel file and rerun"?
- What is the limit on the number of states with the same label?
- I assume that if my error from rtabtrans1 is fixed, then rtabtrans2 will run. What is the best way to solve this issue? Is it to manually truncate the input files and then run rtabtrans1(2) for each subset?
Thank you,
Jonathan
Hello,
I have a calculation with initial state of Ge with a 3d hole and final state of a 2p hole. I am trying to do the E1 transitions between these two states. rtransition runs perfectly with 381 transitions calculated. Also, it seems as though my energylabel
When I run rtabtrans1 like:
$GRASP/bin/rtabtrans1 << EOF
Ge_L23-4p.cm
Ge_M45-4p.cm
12
12
EOF
I get the following error: "Too many states with the same label". However, some valid appearing energylabel.latex table has been generated.
When I run rtabtrans2 like:
$GRASP/bin/rtabtrans2 << EOF
Ge_L23-4p.Ge_M45-4p.ct
0
1e4
1e-4
y
3
EOF
I get the following at the end of the outputs in the terminal:
...
Quantum labels for states 45 47 equal
Quantum labels for states 46 48 equal
Some quantum states have equal labels
Update energylabel file and rerun
Questions:
Thank you,
Jonathan