iofn2 message

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amir
Posts: 19
Joined: Fri Oct 24, 2014 8:44 pm

iofn2 message

Post by amir » Tue Mar 22, 2016 9:50 am

Hi all,

I get this message all the time:

iofn2 : Please give name of formatted atomic psp file

What does it mean? What do I need to change?

Thank,
Amir

Jordan
Posts: 282
Joined: Tue May 07, 2013 9:47 am

Re: iofn2 message

Post by Jordan » Wed Mar 23, 2016 8:37 am

Hi,

When you just run abinit you have to type on your keyboard a few things : the path to input file, output file, root name for input files, root name for output files, root name for log files and all the path to the pseudo-potential you want to use (this is the iofn2 message you get "please enter the name of the formatted atomic pseudo-potential file).
Those can be written down into a files file and then you can run abinit like
abinit < file
with file containing for example
input
output
I
O
L
/path/topspone
/path/topsptwo
....

If you don't know what a pseudo-potential is you should probably read about DFT and pseudo-potential methods first and then read the abinit documentation

Cheers

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