[Pw_forum] TDDFT with turbo_lanczos.x
henry odhiambo
henod2001 at yahoo.com
Thu Jul 19 14:36:54 CEST 2012
Hello users,
I am calculating the absorption spetrum. If I run the code turbo_lanczos.x after performing the ground state scf, the calculation stops and I get the error message bellow:
*********************************************************************************
from orthogonalize: error # 1
degauss with gamma point algorithm
*********************************************************************************
Could any one help.
Thank you.
Henry Otunga
Dept. of Physics
Maseno University
Kenya
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120719/5ede62f0/attachment.html>
More information about the users
mailing list