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
anaddb requires new kpoints
Moderators: MMNSchmitt, gonze
anaddb requires new kpoints
- Attachments
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kpt.in- input file for generation of kpoints in 444 mesh for bcc
- (5.58 KiB) Downloaded 527 times
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- kpt.out
- output relevant to kpt.in
- (20.97 KiB) Downloaded 376 times
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- anaddb1.in
- the first input for using anaddb that requires different kpoints
- (1.1 KiB) Downloaded 365 times