[Wien] problem with lapw1 during supercell calculations

2011-05-21 Thread Peter Blaha
It does not help to repeat the same question again. With this info, nobody can help. Am 21.05.2011 09:44, schrieb Pooja Rana: > Respected Prof. Blaha and dear Wien2k users > > I am facing problem with lapw1 during scf of supercell in NaCl structure. > The error as: > lapw1.error > 'SELECT' - no en

[Wien] problem with lapw1 during supercell calculations

2011-05-21 Thread Pooja Rana
Respected Prof. Blaha and dear Wien2k users I am facing problem with lapw1 during scf of supercell in NaCl structure. The error as: lapw1.error 'SELECT' - no energy limits found for L= 2 'SELECT' - E-bottom -200.0 E-top -200.0 I have tried all corr