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
iofn2 message
Re: iofn2 message
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
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