scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity

quick fix to issue 205

This commit is contained in:
Fabrizio Ferrari 2021-07-15 12:08:15 +00:00
parent 327a638b68
commit 7448795d33
1 changed files with 2 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
XClib/xc_input_params_mod.f90
View File

@ -101,14 +101,14 @@ MODULE dft_par_mod
INTEGER :: beefvdw = 0
!! Index for vdw term of BEEF
!
INTEGER, PARAMETER :: nxc=8, ncc=10, ngcx=46, ngcc=13, nmeta=6
INTEGER, PARAMETER :: nxc=8, ncc=12, ngcx=46, ngcc=13, nmeta=6
CHARACTER(LEN=4) :: exc, corr, gradx, gradc, meta
DIMENSION :: exc(0:nxc), corr(0:ncc), gradx(0:ngcx), gradc(0:ngcc), &
meta(0:nmeta)
!
DATA exc / 'NOX', 'SLA', 'SL1', 'RXC', 'OEP', 'HF', 'PB0X', 'B3LP', 'KZK' /
DATA corr / 'NOC', 'PZ', 'VWN', 'LYP', 'PW', 'WIG', 'HL', 'OBZ', &
'OBW', 'GL' , 'KZK' /
'OBW', 'GL' , 'KZK', 'xxxx', 'B3LP' /
!
DATA gradx / 'NOGX', 'B88', 'GGX', 'PBX', 'REVX', 'HCTH', 'OPTX', &
'xxxx', 'PB0X', 'B3LP', 'PSX', 'WCX', 'HSE', 'RW86', 'PBE', &