28.09.2015 19:45, Krishnaveni. S wrote:
Error in LAPW1
'SELECT' - no energy limits found for atom 1 L= 1
'SELECT' - E-bottom -5.18127 E-top -200.0
Can some one suggest what I should be doing in this case please?
You should make a search in the mailing archive of WIEN2k with the
ِDear users
I am trying to obtain imaginary and real part of Dielectric function. As i know
these information can be find in case.joint and case.epsilon but the Im_eps_xx
which is in both file have a different value. What is the reason of this
discrepancy?
Regards
___
Hi Elias,
There were no other jobs in the specific queue I was using and the nodes
are dedicated to that queue, so, it was the opportunity to reboot them
without furious reactions from other users.
After trying everything suggested by the Wien2k community, the
administrators resignedly remem
If it happens again, one thing to ask them to check is swap usage and how
much memory is cached. On some of my nodes I have noticed that they do not
always release cached memory, and can start swapping. If this happens the
job will get very slow. The commands to use to clear the cache can be found
Dear Prof. Marks,
Thanks !
I will send your message to the administrators !
All the best,
Luis
2015-09-29 8:57 GMT-03:00 Laurence Marks :
> If it happens again, one thing to ask them to check is swap usage and how
> much memory is cached. On some of my nodes I have notic
Broadening.
On 09/29/2015 12:12 PM, emami seyyed amir abbas wrote:
ِDear users
I am trying to obtain imaginary and real part of Dielectric function. As
i know these information can be find in case.joint and case.epsilon but
the Im_eps_xx which is in both file have a different value. What is th
29.09.2015 14:57, Laurence Marks wrote:
If it happens again, one thing to ask them to check is swap usage and
how much memory is cached.
...
Alternatively it was something else, a zombie, big log files or other
things. Rebooting gets rid of a lot of system caches and helps
I stand for losing
Hi Lyudmila,
Thanks again !
I will ask them.
All the best,
Luis
2015-09-29 10:37 GMT-03:00 Lyudmila Dobysheva :
> 29.09.2015 14:57, Laurence Marks wrote:
>
>> If it happens again, one thing to ask them to check is swap usage and
>> how much memory is cached.
>>
> ...
>
>>
Hi Lyudmila,
Unfortunately, they do not have "top mode 1" output corresponding to the
problem period.
Thanks again.
All the best,
Luis
2015-09-29 10:37 GMT-03:00 Lyudmila Dobysheva :
> 29.09.2015 14:57, Laurence Marks wrote:
>
>> If it happens again, one thing to ask them
From the top's sent before, it looks like the administrators might have
configured the system with no swap:
r1i1n2
Swap:0M total,0M used,0M free,10563M cached
r1i1n3
Swap:0M total,0M used,0M free,23089M cached
Keep in mind that having s
Resp. All
I am a bit confused with some logic, please clear me on the following
questions
1. what are the strengths and weaknesses of the DFT in contrast to the
more traditional wave function approach
2. What are the properties of this “gas” I mean the “homogeneous
electron gas” which
Hello Krishnaveni Parthasarathy
Yes you can - though admittedly I did not look up your reference, and I
might misinterprete your idea of 'layered AFM'. And I suppose you
consider collinear magnetic moments. If that is not the case you might
look into the (unsupported) WienNCM.
In general, st
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