Are you sure you need RKmax=9 ???
For cells with very different RMTs for different atoms this may lead to
QTL-B errors.
On 06/26/2013 08:05 PM, Saba Sabeti wrote:
Dear all users,
Greetings,
I would be so thankful if you guide me in solving my problem.
I have encountered to this error :***FORTRAN STOP L2main- QTL-B*, while
running scf of a topological supercell considering SO coupling
I could remove it by reducing mixing factor from 0.2 to 0.1, while
running the scf again, this time I encountered another error in cycle 4
that shows this one:
*no energy limits found for l=0*
Although this error also is removable via reducing RKmax from 9 to 8,
since I need it to be 9, let me now if there is any other way to remove
this error?
best regards
--Saba
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