Hello again
When trying to execute a simple example, I found that the problem is at the
level of execution of LAPW2 program:
regabdou@algerien1970-Dell:~/WIEN2k/TiC-sp$ runsp_lapw
hup: Command not found.
STOP LAPW0 END
STOP LAPW1 END
STOP LAPW1 END
STOP FERMI - Error
and the error message in
Hello again
The problem still at the level of LAPW2 program.
I have tried to do the calculation of the example of Ni , there is no
problem in initialization but i found the error when doing SCF calculation
when i obtained this message:
regabdou@algerien1970-Dell:~/WIEN2k/Ni-ferro$ runsp_lapw
Dear Wien2k experts, Greetings from my side,
Kindly help in my problem related to PDOS. Please see the attachment.
It is clear from the DOS figure that the N-total and Lu total do not add up
to the Lu-N total as they should. Instead it looks like the LuN is about 2x
higher than the Lu total +
Hello again
Now and trying to execute the example of rutile i found this error at the
level of mixer program as before:
regabdou@algerien1970-Dell:~/WIEN2k/TiO2-min$ run_lapw -p -fc 1.0
hup: Command not found.
STOP LAPW0 END
STOP LAPW1 END
STOP LAPW1 END
STOP LAPW1 END
STOP LAPW1 END
STOP
With this information all we can comment is: you made an error.
Lu-total is certainly NOT Lu total.
Most likely you are misinterpreting some columns. In addition: for Lu
the main contribution will be 4f, not Lu-p ??
On 01/20/2015 06:03 PM, SANJAY KUMAR SINGH wrote:
Dear Wien2k experts,
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