[Pw_forum] meta-gga implemented only for all-electron case

[Nguyen Chuong]

Dears Pwscf!

I want to create a new pseudopotentials for Al for metal-GGA calculations,
but i have got a problem when running: *meta-gga implemented only for
all-electron case. *I have QE 5.0 version in PC.
Can you tell me how i can fix this problem? Here i attach you my input.

Thanks and best regard.

My input follow here:


 &input

      zed=13

    title='Al',

    prefix='Al.tpss',

    dft='tpss',

    config='[Ne] 3s2 3p1 3d0',

    iswitch=3,

    nld=3,

        eminld=-8,

        emaxld=8,

        deld=0.01d0,

        rlderiv=2.65,

 /

 &inputp

   pseudotype=3,

   nlcc=.true.,

     new_core_ps = .true.

     rcore = 1.3

   lloc=2,

   file_pseudopw='Al.tpss.UPF'

   zval=3

   lpaw=.true.

     lnc2paw=.false.

     which_augfun ='BESSEL'

     rmatch_augfun= 2.15000

   author='NVChuong'

   tm=.true.

   file_screen='Pot_scr'

!nX n  l   occ   nrg   rmin   rcut

 /

5

3S  1  0  2.00  0.00  2.15  2.25

3S  1  0  0.00  0.06  2.15  2.25

3P  2  1  1.00  0.00  2.30  2.50

3P  2  1  0.00  0.10  2.30  2.50

3D  3  2  0.00  0.30  2.20  2.20

On Fri, Jun 14, 2013 at 8:08 PM, Nguyen Chuong <chuongnguyen11 at gmail.com>wrote:

> Dears Pwscf!
>
> I want to create a new pseudopotentials for Al for metal-GGA calculations,
> but i have got a problem when running: *meta-gga implemented only for
> all-electron case. *I have QE 5.0 version in PC.
> Can you tell me how i can fix this problem? Here i attach you my input.
>
> Thanks and best regard.
>
> --
> Nguyen Van Chuong
> Department of Physics,
> Don State Technical University.
> Rostov on Don, Russia
> Group Graphene
> Email: chuongnguyen11 at gmail.com or cpuphys86 at gmail.com
> Phone mobile: +7 909 434 11 13
>
>


-- 
Nguyen Van Chuong
Department of Physics,
Don State Technical University.
Rostov on Don, Russia
Group Graphene
Email: chuongnguyen11 at gmail.com or cpuphys86 at gmail.com
Phone mobile: +7 909 434 11 13
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