Re: [Wien] band character plotting with eece

2024-04-24 Thread Peter Blaha
This is enough. Don't use  -eece in lapw2. This would "destroy" your scf solution, since the dmats,... would come from a wrong k-mesh. Am 24.04.2024 um 21:50 schrieb Pavel Ondračka: Dear Wien2k mailing list, is this enough for spaghetti with band character for onsite hybrids? x lapw1

[Wien] band character plotting with eece

2024-04-24 Thread Pavel Ondračka
Dear Wien2k mailing list, is this enough for spaghetti with band character for onsite hybrids? x lapw1 (-up/-dn) -orb -band x lapw2 (-up/-dn) -qtl -band or do I need also -eece -orb switches for lapw2? Best regards Pavel ___ Wien mailing list