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
