a2y converter

[zchen]

Dear all:
I used abinit-6.8.1 created KSS file. I try to use a2y of yambo-3.2.4 to converte KSS file to yambo. I got error message:
[01] A(binit) 2 Y(ambo)
<---> Checking input file ...../ZnO_o_DS2_KSS
<---> DBs path set to :.
<---> KSS Header...abinit version 6.8.1
<---> Pseudo Potential KB form factors...yes
<---> Atom's informations...done
<---> Symmetries...PGFIO-F-219/unformatted read/unit=11/attempt to read/write past end of record.
File name = ../ZnO_o_DS2_KSS unformatted, sequential access record = 10
In source file a2y_db1.f90, at line number 171

I calculated ABINIT and YAMBO before and have never had this problem. Should I try different version of ABINIT or Yambo.

Thanks

Zhifan Chen
Clark Atlanta University
Atlanta GA 30314
USA

[andrea marini]

Dear Zhifan Chen,

this simply means that in abinit version 6.8.1 they changed the format of the header and of the KSS file. We have to look into the code and change a2y accordingly. I am sorry for this. We will do it ASAP. In the meantime the easiest solution is to use a previous version of the code. I am personally using abinit 5.8.0 and it works.

Andrea

[zchen]

Andrea:
Thanks. Can I use ABINIT 6.02 or 6.43?


Zhifan Chen
Clark Atlanta University
USA

[myrta gruning]

Hallo Zhifan Chen

I am using abinit 6.4.2 and I have used the 6.0.* so they should work. Anyway you can try for a small calculation whther it works.

Cheers,
m