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Update cube.f90. Write correct atomic numbers in the CUBE output

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afonari 2024-09-12 17:24:22 +00:00
parent c76507d0e0
commit 485961b8fc
1 changed files with 1 additions and 1 deletions
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PP/src/cube.f90
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@ -28,7 +28,7 @@ SUBROUTINE write_cubefile ( alat, at, bg, nat, tau, atm, ityp, rho, &
IMPLICIT NONE
INTEGER, INTENT(IN):: nat, ityp(nat), ounit, nr1,nr2,nr3, nr1x,nr2x,nr3x
CHARACTER(len=6), INTENT(IN) :: atm(*)
CHARACTER(len=*), INTENT(IN) :: atm(*)
REAL(DP), INTENT(IN) :: alat, tau(3,nat), at(3,3),bg(3,3), rho(nr1x,nr2x,nr3x)
! --
INTEGER :: i, nt, i1, i2, i3, at_num