[Pw_forum] TDDFT with turbo_lanczos.x
henry odhiambo
henod2001 at yahoo.com
Thu Jul 19 14:37:42 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
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