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[zahra hooshmand <z.hooshmand@gmail.com>]

Dear Martin, Matteo and tunatiuh

this is my error file and log file. please let me knopw what is problem? and besides what should I do for a system which is paramagnetic, I mean, nsppol=1?

Zahra

On Fri, Feb 5, 2010 at 9:09 PM, zahra hooshmand <z.hooshmand@gmail.com> wrote:

Dear Martin

this is log file, please look at and tell me what is problem with my run?

need your help!

Zahra

On Fri, Feb 5, 2010 at 8:53 PM, zahra hooshmand <z.hooshmand@gmail.com> wrote:

Dear Martin,

so, if it is the problem, what about a system with nsppol=1? (I mean a paramagnetic system)

it doesn't have any output and after some minuets it exit!

need your help strongly!

Zahra

2010/2/5 Martin Häufel <martin.haeufel@googlemail.com>

Dear Zahra,

I agree with Matteo Giantomassi and Tonatiuh. Try nsppol 2 and gwpara 2 in tgw2_2.in .

Do you still have problems? Could you post the error message in the log file? I got it running on my machine.

Best regards,

Martin Haeufel
TU Munich, WSI (T33)
www.wsi.tum.de

On 05.02.2010 12:59, Tonatiuh Rangel wrote:

Dear Zahra,

After talking to Matteo Giantomassi, who is more involved in the
development of this part of the code, we come to some suggestions.


To create the kss file, you should use
kssform 3

For the screening calculation:
nsppol 2
gwpara 2
awtr 1


gwpara 2, means parallelization over bands,
this is more standard for GW calculations.

THis should work.
Best
Tonatiuh

--
Regards
Zahra Hooshmand

--
Regards
Zahra Hooshmand

-- 
Regards
Zahra Hooshmand

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