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
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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
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
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