[Wien] DFTD3 stop error

[Tristan de Boer]

The output is the same as giving dftd3 no input:
[user at computerName BN-h]$ dftd3 BN-h.poscar -pbc -func pbe -zero
  dftd3 <coord filename> [-options]
  options:
  -func <functional name in TM style>
  -grad
  -anal (pair analysis)
       file <fragemt> with atom numbers
       is read for a fragement based
       analysis (one fragment per line,
       atom ranges (e.g. 1-14 17-20) are allowed)
  -noprint
  -pbc (periodic boundaries; reads VASP-format)
  -abc (compute E(3))
  -cnthr (neglect threshold in Bohr for CN, default=40)
  -cutoff (neglect threshold in Bohr for E_disp,  default=95)
  -old (DFT-D2)
  -zero (DFT-D3 original zero-damping)
  -bj   (DFT-D3 with Becke-Johnson finite-damping)
  -tz (use special parameters for TZ-type calculations)
  variable parameters can be read from <current-directory>/.dftd3par.local
   or
  variable parameters read from ~/.dftd3par.<hostname>
  if -func is used, -zero or -bj or -old is required!"

I've checked that x struct2poscar runs OK, case.poscar exists, and when 
entering this command I also made sure bash autocompleted the 
BN-h.poscar filename, so dftd3 should be able to find the file.

On 2016-06-14 3:53 PM, tran at theochem.tuwien.ac.at wrote:
> Not much for the moment. What is the output when
>
> dftd3 case.poscar -pbc -func pbe -zero
>
> is executed (without x) by replacing case.poscar by the one in your
> directory?
>
>
> On Tuesday 2016-06-14 23:27, Tristan de Boer wrote:
>
>> Date: Tue, 14 Jun 2016 23:27:14
>> From: Tristan de Boer <tristan.deboer at usask.ca>
>> Reply-To: A Mailing list for WIEN2k users
>> <wien at zeus.theochem.tuwien.ac.at>
>> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>> Subject: Re: [Wien] DFTD3 stop error
>>
>> Hi,
>> I get:
>> $ which dftd3
>> ~/wien2k14us-tmod/wien14us/bin/dftd3
>> $ x dftd3
>> 0.001u 0.000s 0:00.00 0.0%    0+0k 0+8io 0pf+0w
>>
>> The dftd3 is one for which I've uncommented the three .EDISP lines.
>> '.EDSIP' does exist, but is an empty file in my case folder.
>> I hope that helps.
>>
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