[Wien] How to continue SCF after the process is killed?

[翠玉 耿]

Dear all:

It has taken me half a month for a large system SCF calculation in wien2k (run_lapw ¨Cec 0.0001 ¨Ci 50 &). All went well until somebody killed my process by accident. My question is how can I restart the SCF right where it stopped? Is this possible? It stopped in the thirtieth iteration when lapw1 is running, maybe I just do the following command can solve the problem: run_lapw ¨Cec 0.0001 ¨Ci 50 ¨Cs lapw1 &. What do you think about, should I do this after save_lapw or deleting all the error files? Please tell me step by step. Thanks in advance.

Regards 


__________________________________________________
Do You Yahoo!?
Tired of spam?  Yahoo! Mail has the best spam protection around 
http://mail.yahoo.com 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20031031/5babc6cd/attachment.html