wien@zeus.theochem.tuwien.ac.at
*Sent:* Wednesday, 26 June 2013, 23:33
*Subject:* Re: [Wien] no energy limits found for l=0
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
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
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