anaddb requires new kpoints
Posted: Mon Jun 21, 2010 1:11 am
Hello ABINIT users
I have a problem in applying anaddb to find phonon dispersion and thermodynamical properties of my system. I followed the examples to find a grid of kpoints for my system that is a BCC structure. I calculated response functions for each kpoint and merged the databases but when I apply anaddb I get errors like :
Information are missing in DDB and add the required block , or modify your input file.
I have attached input files and output files . Could someone help me to overcome this problem?
Best regards, Payam Norouzzadeh
I have a problem in applying anaddb to find phonon dispersion and thermodynamical properties of my system. I followed the examples to find a grid of kpoints for my system that is a BCC structure. I calculated response functions for each kpoint and merged the databases but when I apply anaddb I get errors like :
Information are missing in DDB and add the required block , or modify your input file.
I have attached input files and output files . Could someone help me to overcome this problem?
Best regards, Payam Norouzzadeh