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Empty Lattice Approximation for fcc crystal
by: xlorcaxlorca
16 Apr 2021 15:24
1  
The ground state calculation was stopped while was in the first iteration for few days......
by: maryam malmirmaryam malmir
11 Mar 2021 19:37
3 by maryam malmirmaryam malmir
28 Mar 2021 21:07 Jump!
i just don't get the excitingser in the bin directory of exciting, what could be wrong?
by: Bra_TBra_T
23 May 2013 16:23
8 by Thuto MosuangThuto Mosuang
27 Mar 2021 15:24 Jump!
What is the maximum Hamiltonian size in exciting code?
by: Reihan NejatiReihan Nejati
28 Feb 2021 15:14
2 by ronaldorpelaronaldorpela
23 Mar 2021 10:55 Jump!
the computation of Auger line shapes for CCV and CVV Auger decay
by: JerryXinjieJerryXinjie
08 Feb 2021 04:07
2 by ronaldorpelaronaldorpela
09 Feb 2021 10:16 Jump!
by: Zahra (guest)
29 Jul 2014 22:21
3 by andrewstevensonandrewstevenson
07 Feb 2021 20:17 Jump!
exe: Rank 0:0: MPI_Get_processor_name: Resource limit exceeded: Input buffer too small
by: RomanVRomanV
13 Oct 2020 19:40
2 by alex_buccherialex_buccheri
24 Jan 2021 23:17 Jump!
compile exciting Nitrogen with gfortran version=9.3.0 using ubuntu 20.04
by: xfeloxfelo
14 Dec 2020 22:12
3 by alex_buccherialex_buccheri
24 Jan 2021 22:52 Jump!
Segmentation fault when spinorb="true"
by: RomanVRomanV
14 Nov 2020 17:46
5 by RomanVRomanV
01 Dec 2020 13:58 Jump!
Hello, I am trying to install the package with the gfortran compiler and I am getting the below error:
by: Daniel_DuarteDaniel_Duarte
18 Nov 2020 11:14
4 by PasqualePavonePasqualePavone
20 Nov 2020 18:25 Jump!
What parameters influence scf loop convergence?
by: RomanVRomanV
08 Nov 2020 22:41
3 by RomanVRomanV
14 Nov 2020 04:27 Jump!
by: Soumyadeep GhoshSoumyadeep Ghosh
25 Jun 2020 05:30
2 by vorwerkcvorwerkc
03 Nov 2020 09:50 Jump!
Question regarding how much of a XAS calculation needs to be run when changing the range.
by: spjr3spjr3
21 Sep 2020 10:22
2 by vorwerkcvorwerkc
03 Nov 2020 09:44 Jump!
How to set U and J
by: EarlHummocksEarlHummocks
21 Oct 2020 20:40
2 by vorwerkcvorwerkc
03 Nov 2020 09:35 Jump!
Failure to compile, with catastrophic error message
by: Conner_dConner_d
15 Oct 2020 17:01
2 by pweberpweber
16 Oct 2020 11:49 Jump!
Trying to run diamond example for exciting nitrogen, keep getting error about input.xml file.
by: vsuevsue
18 Sep 2020 07:00
1  
Need to know if 'exciting' can compute optimized geometries of crystals like Bi2Se3 or As3Mo2.
by: VarrickVarrick
21 Aug 2020 09:50
2 by ronaldorpelaronaldorpela
25 Aug 2020 09:27 Jump!
Getting error message to install exciting
by: Manju V VManju V V
30 Jun 2020 14:17
2 by PasqualePavonePasqualePavone
30 Jun 2020 17:28 Jump!
by: Jolayemi Omamuyovwi Rita (guest)
03 Oct 2017 12:13
2 by Manju V VManju V V
30 Jun 2020 14:30 Jump!
BSE-XAS calculation stuck at "Info(findocclims): Partially occupied states present"
by: Soumyadeep GhoshSoumyadeep Ghosh
23 Jun 2020 05:04
1  
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