Running NWChem

Announcement's Replies Views Last Action
Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
0 1715 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

Jump to page 1Prev 2522232425262728Next 25Last
Thread Title Replies Views Last Action
BNL UV calcuation error "one spin state at a time"
3 2317 Mar 31st 1:58 pm
Sean
Diffuse Basis set error
9 1835 Mar 26th 1:08 pm
Edoapra
missed atoms of plane wave calculation
0 1007 Mar 24th 5:30 am
Saeed1
losing some atoms of input
0 1716 Mar 16th 8:40 am
Saeed1
forrtl: severe (71): integer divide by zero
0 3328 Mar 16th 1:45 am
Puneet336
When memory is not enough
3 2509 Mar 15th 6:56 pm
Vladimir
TDDFT excitation symmetry broken for LC-DFT?
0 1716 Mar 10th 5:28 pm
Mpjohans
convergence of wavefunction
0 1662 Mar 9th 10:54 pm
Deepthi
Geometry adjust zcoord problem
0 1877 Mar 9th 6:13 am
PaulElliott
potential energy of interaction using DFT !!
4 2083 Mar 4th 10:45 pm
Neo
NMR Shielding Tensors not reported.
1 1675 Mar 4th 1:34 pm
Mernst
Memory requirements of EOM-CCSD excitations
1 2409 Mar 4th 10:19 am
Mpjohans
Bug: Oscillator strengths with EOMSOL 2 in EOM-CC
0 1824 Mar 4th 10:17 am
Mpjohans
CIS frequencies runs crash with "failed to read isroots"
3 4007 Feb 25th 5:46 pm
Edoapra
MCSCF error "initial guess has wrong spin/symmetry"
0 1454 Feb 23rd 10:35 am
Akaranov
Spherical BSs and COSMO
2 2060 Feb 17th 3:22 am
Mpol
Convergence problems; high difference between atomic guess and first step in scf
1 3076 Feb 14th 5:32 pm
Huub
String Error: zts_meps: gradient failed 0
1 2498 Feb 14th 5:25 pm
Huub
nbf/nmo/basis-name mismatch error in string and neb
1 3012 Feb 14th 5:16 pm
Huub
"0:geom_input:center is neither atom nor bq:Received an Error in Communication" error message
1 2348 Feb 14th 5:06 pm
Huub
Problem with input for NWChem 6.1.1 and 6.5
6 2048 Feb 14th 7:37 am
AlexanderLV
MRCC for non-singlets
0 1405 Feb 13th 3:04 am
Mpol
tddft_transfm: failed to allocate w2
1 2048 Feb 9th 12:19 pm
Edoapra
NWChem isn't running properly
2 2153 Feb 3rd 10:46 am
KhunWasut
Segmentation Violation error, status=: 11
0 2777 Feb 1st 3:13 pm
Masrul
Running Nwchem First time
1 1885 Jan 30th 12:59 am
Neo

Forum >> NWChem's corner >> Running NWChem
Jump to page 1Prev 2522232425262728Next 25Last