[Wien] nband should be an integer

[tran at theochem.tuwien.ac.at]

Execute clean_lapw and delete the files case.weighhf*.

Concerning case.inhf, remove the line where lambda is specified
(and do not modify the source code).


On Sunday 2018-01-07 12:21, 24h Nhảm wrote:

>Date: Sun, 7 Jan 2018 12:21:55
>From: 24h Nhảm <kesitinhkhongduyen at gmail.com>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: Wien at zeus.theochem.tuwien.ac.at
>Subject: [Wien] nband should be an integer
>
>Dear Xavier Rocquefelte
>I have just modified as you said
>
>...
>
>      read(4,*) screened
>      if ((screened .neqv. .true.) .and. (screened .neqv. .false.)) &
>        stop 'error in case.inhf: screening should be true or false'
>      if (screened .eqv. .true.) then
>        read(4,*) smu
>        if ((smu .lt. 1d-4) .or. (smu .gt. 5d0)) &
>          stop 'error in case.inhf: to avoid numerical instabilities, &
>          do not use lambda smaller than 0.0001 or larger than 5'
>      elseif (screened .eqv. .false.) then
>*        read(4,*) smu*
>        smu = 0d0
>      endif
>
>....
>
>but got same error. Thank you
>
>==================================
>
>Dear Tran,
>
>I have just removed line to specify the screening lambda and got error "error in read_weight: wrong case.weighhf"
>
>How i can relsove this problem. I can ask you in my case nband = 34 i right? Thank you.
>
>