Dear Sabin,
I have increased "nband" parameter in *.in file larger than "nband" value in the output dos file.
Then I have succeeded to obtain *.agr file.
Thank you very much for your suggestion.
Search found 3 matches
- Fri Oct 12, 2012 3:50 am
- Forum: Other tools and postprocessing in ABINIT
- Topic: [Solved] AbinitBandStructureMaker cannot generate .agr file
- Replies: 2
- Views: 4300
- Wed Sep 05, 2012 6:34 am
- Forum: Other tools and postprocessing in ABINIT
- Topic: [Solved] AbinitBandStructureMaker cannot generate .agr file
- Replies: 2
- Views: 4300
[Solved] AbinitBandStructureMaker cannot generate .agr file
Hello! I am now trying to draw the band structure of the ionic crystal by AbinitBandStructureMaker.py. The .dbs file is successfully generated. However,.agr file cannot be obtaned by the command, > python AbinitBandStructureMaker.py t3x.out.dbs The error message was, > ==============================...
- Fri Dec 03, 2010 6:00 am
- Forum: Link to other codes
- Topic: [SOLVED] Troullier-Martins Psuedopotential dl link broken
- Replies: 12
- Views: 9341
Re: Troullier-Martins Psuedopotential download link broken
Hello! I have failed to download the psuedopotential files LD-TM etc from the download page. I have got the message, Connection to 130.104.65.148 Failed The system returned: (111) Connection refused. The remote host or network may be down. I would appreciate if you could give some suggestions how to...