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checked the reference t104.abo test file due to prefix problem with reference file

This commit is contained in:
Charles Paillard 2022-06-12 18:15:23 +02:00
parent 3d7dab32e3
commit 4e52cef22b
1 changed files with 5 additions and 5 deletions
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10
tests/v9/Refs/t104.abo
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@ -17,10 +17,10 @@
.Starting date : Sun 12 Jun 2022.
- ( at 13h54 )
- input file -> pto.abi
- output file -> pto.abo
- root for input files -> ptoi
- root for output files -> ptoo
- input file -> t104.abi
- output file -> t104.abo
- root for input files -> t104i
- root for output files -> t104o
Symmetries : space group Cm (# 8); Bravais mC (1-face-center monocl.)
@ -492,7 +492,7 @@ force_length_stats: {min: 4.89123519E-05, max: 4.30839677E-04, mean: 2.514
frms,max,avg= 8.5497558E-03 1.5334947E-02 4.555E-05 4.555E-05 -1.032E-04 e/A
length scales= 7.351034624558 7.351034624558 7.381369672906 bohr
= 3.889999982872 3.889999982872 3.906052599079 angstroms
prteigrs : about to open file ptoo_EIG
prteigrs : about to open file t104o_EIG
Fermi (or HOMO) energy (hartree) = 0.16991 Average Vxc (hartree)= -0.45816
Eigenvalues (hartree) for nkpt= 4 k points:
kpt# 1, nband= 32, wtk= 0.25000, kpt= 0.2500 0.2500 0.2500 (reduced coord)