Phosphorescence Calculation with pbe functional
Posted: 05 Nov 2019, 11:52
Hi everyone,
I encounter problems while calculate Phosphorescence emission using PBE functional, the .dal and part of .mol and of .out files are attached below.
Could anyone help me fix it?
I'm using the 2018 version of Dalton, by the way.
@ MPI MASTER, node no.: 0
@ Reason: functional not fully implemented/tested for QR
Total CPU time used in DALTON: 13 minutes 17 seconds
Total wall time used in DALTON: 13 minutes 19 seconds
QTRACE dump of internal trace stack
========================
level module
========================
3 RSPDRV
2 DALTON
1 DALTON main
========================
I encounter problems while calculate Phosphorescence emission using PBE functional, the .dal and part of .mol and of .out files are attached below.
Could anyone help me fix it?
I'm using the 2018 version of Dalton, by the way.
@ MPI MASTER, node no.: 0
@ Reason: functional not fully implemented/tested for QR
Total CPU time used in DALTON: 13 minutes 17 seconds
Total wall time used in DALTON: 13 minutes 19 seconds
QTRACE dump of internal trace stack
========================
level module
========================
3 RSPDRV
2 DALTON
1 DALTON main
========================