[Wien] error in GGA+U calculation for 2D structure

Lyudmila Dobysheva lyuka17 at mail.ru
Wed Jun 17 09:31:12 CEST 2015

On 17.06.2015 10:55, vishal jain wrote:
>    10                              nsic 0..AMF, 1..SIC, 2..HFM

Why there is now this number 10?

> lapw1c             00000000004418B1  inilpw_                   280  inilpw.f
> forrtl: severe (59): list-directed I/O syntax error, unit 7, file /home/vishal/WIEN2k/Co2CrAlGaAs111LDAU/Co2CrAlGaAs111LDAU.vorbup

The diagnostic says that file case.vorbup was not correctly written 
earlier (by program orb). If you look inside, you maybe see the exact 
place where this had occured.

Best wishes
   Lyudmila Dobysheva
Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci.
426001 Izhevsk, ul.Kirova 132
Tel.:7(3412) 432045(office), 722529(Fax)
E-mail: lyu at ftiudm.ru, lyuka17 at mail.ru (office)
         lyuka17 at gmail.com (home)
Skype:  lyuka17 (home), lyuka18 (office)

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