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by Rita Maji
Mon Jul 02, 2018 2:35 pm
Forum: Ground state
Topic: hybrid functional use
Replies: 0
Views: 2425

hybrid functional use

Hi all, I need a help for hybrid functional calculation (HSE06). I have tried the test file (t41.in) but after few steps it is showing following error : --- !ERROR src_file: sigma.F90 src_line: 310 mpi_rank: 0 message: | Hybrid functional calculations require the compilation with LIBXC library ... b...
by Rita Maji
Thu Mar 08, 2018 1:51 pm
Forum: Ground state
Topic: finding of reduced coordinate
Replies: 1
Views: 1842

finding of reduced coordinate

Hi,
Can anybody tell me the conversion procedure from xcart to xred .


Thanks,
Rita
by Rita Maji
Tue Apr 25, 2017 9:17 am
Forum: Configuring and compiling ABINIT
Topic: Request for abinit-6.12.3 version [SOLVED]
Replies: 7
Views: 7528

Re: Request for abinit-6.12.3 version [SOLVED]

Hi,
Thanks Jbeuken.
Rita
by Rita Maji
Thu Apr 20, 2017 2:12 pm
Forum: Configuring and compiling ABINIT
Topic: Request for abinit-6.12.3 version [SOLVED]
Replies: 7
Views: 7528

Re: Request for abinit-6.12.3 version [SOLVED]

Hi,
Thanks Jbeuken.
during installation it is showing some error with bigdft packages, bigdft-1.6-tuto.1.tar.gz , which version I am not able to find out .
can anyone share this .

Thanks,
Rita
by Rita Maji
Thu Mar 30, 2017 2:26 pm
Forum: Configuring and compiling ABINIT
Topic: Request for abinit-6.12.3 version [SOLVED]
Replies: 7
Views: 7528

Request for abinit-6.12.3 version [SOLVED]

Dear All,
I need an older version (abinit-6.12.3) of abinit, which I am not able to find out.
Can anybody help me in this regard.


Thanks,
Rita Maji
Research Scholar,
NISER, BHUBANESWAR
INDIA

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