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Announcement's Replies Views Last Action
Locked Sticky: Website shutting down. Moving forum to google groups
Started By : Edoapra
0 816 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
Started By : Edoapra
0 13171 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
dplot electron density difference
Started By : Florianj
0 6 Jul 5th 3:24 pm
Florianj
ngai errors in gradient calculation
Started By : Mqiyang
3 68 Jun 29th 11:53 pm
Edoapra
Website shutting down. Moving forum to google groups
Started By : Edoapra
0 19 Jun 29th 2:52 pm
Edoapra
Convergence issues
Started By : Bert
7 5105 Jun 29th 12:02 pm
Edoapra
Convergence Problems with Iodine Def2-TZVPPD Basis Set
Started By : Florianj
2 67 Jun 16th 2:17 pm
Florianj
RT-TDDFT water absorption example does not run
Started By : Dparsons
2 83 Jun 6th 7:56 am
Dparsons
nwchem processes running after tests done
Started By : Adiazrenteria
0 72 Jun 3rd 7:15 am
Adiazrenteria
NMR with Relativistic Spin-Orbit Coupling
Started By : Diego paschoal
0 89 May 30th 8:36 am
Diego paschoal
Running the ET(electronic coupling) module
Started By : Jdhoward
2 374 May 27th 6:41 pm
Nishat
Hyperpolarizability of HF1 2
Started By : Xiongyan21
16 553 May 24th 5:18 pm
Xiongyan21
Nwchem vibrational analysis for adsorbed species
Started By : Florianj
1 93 May 23rd 12:37 am
Xiongyan21
restart RT-TDDFT
Started By : Mc47
2 879 May 16th 6:33 am
Shima
Continue calculations from last point
Started By : Ifrit
2 1548 May 16th 6:16 am
Shima
task gradient failed
Started By : Apark37
1 128 May 14th 12:26 pm
Edoapra
No output in CDFT calculation after running long time
Started By : Jabed
0 101 May 3rd 10:46 pm
Jabed
Can Intel MKL make NWCHEM faster in fluorescence calculation?
Started By : Xiongyan21
4 247 Apr 26th 11:33 pm
Xiongyan21
Quantum computing DUCC fails for uracil
Started By : Xiongyan21
1 121 Apr 23rd 10:25 pm
Xiongyan21
Quantum computing bare Hamitonian fails for uracil
Started By : Xiongyan21
0 119 Apr 22nd 12:43 am
Xiongyan21
CCSD Lambda iteration divergence in open-shell anions
Started By : A-kornev1971
0 127 Apr 21st 4:40 am
A-kornev1971
"band_Grsm_list_start:get heap 0" error
Started By : Chen830
1 100 Apr 16th 4:19 pm
Edoapra
Freq Calculation Error
Started By : Reza
1 151 Mar 31st 11:27 am
Edoapra
NEB-CI
Started By : Reza
0 122 Mar 31st 11:16 am
Reza
Proper way to restart geometry optimization
Started By : Florianj
1 165 Mar 17th 5:58 pm
Edoapra
TCE(CCSD(T)) crash during integral transformation
Started By : Chiensh
3 189 Mar 13th 11:26 am
Edoapra
Setting Memory by Environment Variables
Started By : Chiensh
2 171 Mar 12th 9:04 pm
Chiensh

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