[Wien] ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX

[Ghosh SUDDHASATTWA]

Dear Wien2k users, 

I approached the total energy of a compound with Fd-3 m spacegroup (227) in
the following way 

1. runsp_lapw -cc 0.0001 -ec 0.0001 -in1new 4 -p  

2. runsp_lapw -cc 0.0001 -ec 0.0001 -p 

 

I checked the SCF files; no Ghost bands 

Then I ran spin orbit coupling programs 

Then I ran 

Runsp_lapw -cc 0.0001 -ec 0.0001 -so -p 

 

I got the message in the dayfile while lapw0 was running 

 

ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX

 

Can anybosy tell me what this mesaage means and if I am doing some mistake?

 

Any suggestions would be of great help 

Thanks 

Suddhasattwa 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100527/e8966ef6/attachment.htm>