[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
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