[Wien] error in lapw2

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.be
Mon Jan 7 22:10:52 CET 2008


Quoting Jianfeng Zhu <jzhu32 at uwo.ca>:

> Thank you for answering. As you said, I run the SCF first and then   
> run the "x lapw2"
> It shows the following information on the screen "0.104u 0.026s   
> 0:00.32 37.5%     0+0k 0+0io 1pf+0w",
> but it still says "error in lapw2". Is it ok?

0.32 s execution time seems to be very fast... Does it produce a  
case.output2(up/dn) file with content? If not: did you use the same  
options for your 'x lapw2' as were used during scf (see :log or  
case.dayfile at the entries for lapw2)?

Stefaan


Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm



More information about the Wien mailing list