[Wien] subject: 1) error in scf mixer in wien 2k.12 2) problem in giving path by x-crysden

Lyudmila Dobysheva lyuka17 at mail.ru
Sat Jun 8 16:10:00 CEST 2013


08.06.2013 08:16, Krisna Swaroop Sharma wrote:
> * On running scf cycle for energy convergence 0.0001 and charge
> convergence 0.001, in 1st cycle only Lapw0, Lapw1, Lapw2 and Lcore are
> done, but it gives error for mixer and stops. The error message is:
> "error: command /root/Desktop/wien2k12/mixer mixer.def failed"

Do error files contain something?
Check and write us about content of
lapw0.error, lapw1.error, lapw2.error, lcore.error and mixer.error

Best wishes
   Lyudmila Dobysheva
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