LOCPROJ Format change from v5.4.4 to v6.3

Queries about input and output files, running specific calculations, etc.


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christopher_lane19
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LOCPROJ Format change from v5.4.4 to v6.3

#1 Post by christopher_lane19 » Thu Dec 18, 2025 12:27 am

I have an interface that reads the LOCPROJ from vasp 5.4.4 for with and without SOC.
Upon switching to vasp 6.3 I find the format has changed, however, I do not see any documentation (wiki, etc) describing what is now printed to file.
Specifically, it is not clear if the new format contains projections on the various spin channels when SOC is turned on.
I may have missed something or it has yet to be documented.
Any help with this would be greatly appreciated.


alexey.tal
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Re: LOCPROJ Format change from v5.4.4 to v6.3

#2 Post by alexey.tal » Thu Dec 18, 2025 10:29 am

Dear christopher_lane19,

Could you please provide an example of LOCPROJ from VASP 5.4.4 and VASP 6.3 where you see that the format is incompatible.
Also, it would be helpful if you could provide all the input files for your example.

Best regards,
Alexey


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