[Wien] QTL-B Error

[John Rundgren]

Dear NN,
When running FeS2, the Bravais lattice is changed from #205(Pa3) to
#160(R3m). The SCF calculation immediately stops with the diagnosis
"L2main - QTL-B Error".

In answer to the diagnosis, FAQ index says "you have to manually change
the case.in1 file".

However, there is no FeS2.in1 file in the FeS2 directory. What can I do
then?
Best,

-- 
John Rundgren
Department of Theoretical Physics, AlbaNova University Center,
Royal Institute of Technology (KTH), SE-10691 Stockholm, Sweden
fax +46 8 5537 8216, voice +46 8 5537 8171,
home page http://www.theophys.kth.se/~jru