Dear Wien2k Users,
I am using Wien2k 13 version and i am performing mBj calculations.
In the firt step when I give the command
run_lapw -i 1 -NI
The following error appeared.
oujnah@boujnah:~/WIEN2k/Boujnah/TM-ZrO2/Ferro-dos/ZrO2-Fe$ run_lapw -i 1
-NI
hup: Command not found.
LAPW0 END
LAPW1 - Err
Dear all
I install the latest version of WIEN2k (13.1)
I followed all the steps (MBJ) mentioned in userguide..
I chose the GaAs structure as an example
but in the last step I have the following error:
GaAs$ run_lapw -i 80
hup: Command not found.
STOP LAPW0 END
At line 1831 of file lapw0.F (unit
Dear Wien2k users,
I am using Wien2k version 13.1. I followed all the steps in userguide but i am
getting error:
hup: Command not found.
STOP LAPW0 END
At line 1831 of file lapw0.F (unit = 11, file = 'TiO2_rutile_mBJ.r2v')
Fortran runtime error: Constant string in input format
(1X,"",I10
Dear Wien2k users,
I am using Wien2k version 13.1. I followed all the steps in userguide but i am
getting error:
hup: Command not found.
STOP LAPW0 END
At line 1831 of file lapw0.F (unit = 11, file = 'TiO2_rutile_mBJ.r2v')
Fortran runtime error: Constant string in input format
(1X,"",I
erase everything except
struct file
and initialize again and then run runsp_lapw
Tomas
-- Původní zpráva --
Od: mourad boujnah
Datum: 1. 8. 2013
Předmět: [Wien] mbj error
"
Dear Wien2k Users,
I am using Wien2k 13 version and i am performing mBj calculations.
I
should use
> runsp_lapw instead of run_lapw
>
> If this is really the cause of your problem, I would erase everything
> except struct file
>
> and initialize again and then run runsp_lapw
>
> Tomas
>
>
> -- Původní zpráva --
> Od: mourad boujnah
>
)
If you initialized your structure as spin-polarized, you should use runsp_lapw
instead of run_lapw
If this is really the cause of your problem, I would erase everything except
struct file
and initialize again and then run runsp_lapw
Tomas
-- Původní zpráva ----------
Od: mourad boujn
is indeed equivalent.
Best regards
Pavel
-- Původní zpráva --
Od: berber mo
Datum: 6. 12. 2013
Předmět: [Wien] mBJ error
Dear all
I install the latest version of WIEN2k (13.1)
I followed all the steps (MBJ) mentioned in userguide..
I chose the GaAs structure as an example
bu
replace it by (9X,I10)
Am 06.12.2013 21:38, schrieb berber mo:
Dear all
I install the latest version of WIEN2k (13.1)
I followed all the steps (MBJ) mentioned in userguide..
I chose the GaAs structure as an example
but in the last step I have the following error:
GaAs$ run_lapw -i 80
hup: Comman
In the WIEN2k directory SRC_lapw0, there should be a file called
lapw0.F. You have to open the file in a text editor. Then, you need to
find line 1831, which should have on that line:
READ(11,'(1X,"",I10)') NKKSP
You need to replace (1X,"",I10) with (9X,I10) in th
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