[Pw_forum] Error Testing Vanderbilt Pseudopotentials

[Zarah Baiyee]

Dear all,

I am trying to test a ultrasoft pseudopotentials, (from PP library online):

Ba.pbe-nsp-van.UPF
Ba.pw91-nsp-van.UPF

I am testing for transferability, and have successfully tested several
other PAW and ultrasoft PPs, however for the two above I continually get
the following error output:


 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_pseudoup (1):
     mesh not supported
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


please see my input below. Any advice would be much appreciated.

Kind Regards

Zarah Baiyee

PhD Candidate.


&input
   title='Ba',
   zed=56.,
   rel=1,
   config='[Kr] 4d10.0 5s2.0 5p6.0 6s2.0 5d0.0 6p0.0',
   iswitch=2,
 /
 &test

 file_pseudo='/Users/zarahbaiyee/espresso-5.0.2/pseudo/Ba.pw91-nsp-van.UPF'
   nconf=3,
   frozen_core=.false.,
   configts(1)='5s2 5p6 6s2'
   configts(2)='5s2 5p6 6s1'
   configts(3)='5s2 5p6 6s0'
   ecutmin=30, ecutmax=150, decut=20
 /
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