[Wien] Please tell me how to solve the error of the lapw2

[Stefaan Cottenier]

> How will i solve this question. please help me.

You can solve it by doing exactly as the error message tells you:

>check for ghostbands or eigenvalues below xx messages
>adjust your energy-parameters or use -in1new switch, check rmts

If you don't know about energy-parameters and -in1new, check Sec. 6.1 of
"DFT and the family of ..." at http://www.wien2k.at/reg_user/textbooks/ .

Stefaan


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