[Smeagol-discuss] How to restart Smeagol for computing TRC?

[Garcia-Suarez, Victor]

Dear Xiaobing, what you can do is divide the transmission range in a series of intervals with few energy points and run the program for each of them.

Victor

-------------------------------------------------------------
 Dr. Victor Manuel Garcia Suarez
 Research Assistant   | Tlf: 0044 - (0)1524 593 995
 Physics Department   | Fax: 0044 - (0)1524 844 037
 Lancaster University | e-m: v.garcia-suarez at lancaster.ac.uk
                      |      victor at condmat.uniovi.es
 Lancaster LA1 4YB    |      
 United Kingdom       |
 www: http://condmat.uniovi.es/victor
-------------------------------------------------------------



-----Original Message-----
From: smeagol-discuss-bounces at lists.tchpc.tcd.ie on behalf of xiaobing.feng at ipcms.u-strasbg.fr
Sent: Mon 4/14/2008 18:00
To: smeagol-discuss at lists.tchpc.tcd.ie
Subject: [Smeagol-discuss] How to restart Smeagol for computing TRC?
 
Dear all,

It may take many hours to compute the transmission coefficients (TRC)
after having converged the DM. I'm running Smeagol on a cluster,
however, the timelimit (12 hours) for my job could not guarantee the normal
finish of Smeagol. Does anyone know how to continue computing TRC?
Many thanks in advance!

Best regards,
Xiaobing



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