ABINIT Discussion Forums

Dear Abinit Users,

I have successfully run tests t85, t86, t87, and t88 of v5. My understanding is that by the end of t88, three files t88.out_PCINFO, t88.out_PHFRQ and t88.out_PHVEC should be generated to be used as input to test t100. I get the first two files but the t88.out_PHVEC is not printed (even though eivec is set to 1). However, I do get t85o_DS3_PHVEC and t85o_DS4_PHVEC from t85 test. I get the same behavior in abinit-6.12.3 and abinit-7.4.2. Is this a bug or is there a trick to getting the PHVEC file in test t88?

Thanks,
Vahid

I took the eigenvectors out of the log file of t88 run and appended them together. Now when I run t100, I get segmentation fault in the first self-consistent loop even though I am allocating 4G of memory. I have attached the log file from the t100 run and the t100i_PHVEC.log file.

I would really appreciate any input especially from those who helped prepare the above tests.

Thanks,
Vahid

I noticed that one of the moderators of this forum is also an author of PRL111,025503(2013). I would very much appreciate knowing at least which version of Abinit could be used for self-consistent phonon analysis using SCALID.

Gratefully,
Vahid