Re: [Wien] x w2w error in WIEN2k.14

-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 On 10/29/2015 05:46 AM, Yue-Wen Fang wrote: > My question is how to find the band index in the interested energy > windows in a faster way*?* Did you try `findbands´ (which is also called by `init_w2w´)? That would be the ``standard´´ way in wien2wa

Re: [Wien] x w2w error in WIEN2k.14

Hello again, Elias and other friends I calculated the band structure of 4-atom CoO with G-type antiferromagnetism, the band structure seems good with GGA+U (U ~ 2 eV). I also got from band that in the energy range *[-2 eV : Fermi level]*, dx2-y2 and dxy dominates the main features of band structur

[Wien] error in LAPW2

Hi I have calculated the electronic structure of my compound with GGA approach . But when I try to calculate it by EVGGA approach I have this error in LAPW2 : 'L2main' QTL-B.GT.15 Ghost bands check scf files What means ? and How I can solve the problem ? Best