[Wien] Regarding Range of DOS

2013-07-01 Thread SANJAY KUMAR SINGH
Respected Steafaan, and wien2k users, I have done according to your suggestion. But I am not getting result. Sir, Actually, I am not getting data above 3.4 eV in case.dos1ev. What can I do for this please comment on this it will help me. Regards, Sanjay -- *DO HELP WHO NEED HELP* * *

[Wien] Address Error

2013-07-01 Thread Karima Karim
Dear wien users Ihave wien2k -08 with ubuntu 10.04 Iworke with PrO2 optimize Igot thie msg what is the probleme Invalid null command. FORTRAN STOP DSTART ENDS 20.6u 0.0s 0:25.00 82.6% 0+0k 0+15592io 0pf+0w Invalid null command. FORTRAN STOP DSTART ENDS 20.6u 0.0s 0:23.35 88.3% 0+0k 0+15592io

[Wien] Error in Lapw0

2013-07-01 Thread Tuo Cai
Dear wien2k users, I have calculated a structure of 66 atoms, however, when it run in lapw0, error was coming. Error in LAPW0 'SETFF1' - ifft too small in xcpot3 'SETFF1' - 2*(KKK+1) LARGER THAN IFFT PARAMETERS IN XCPOT3 'SETFF1' - KKK= 0 0 1