| Thread Title |
Replies |
Views |
Last Action |
Problems with negative frequencies
|
4 |
1024 |
Aug 19th 3:07 pm
Edoapra |
cphf_solve2 issues for vibrational calculation in version 6.8.1
|
3 |
388 |
Aug 19th 9:47 am
IGClayson |
Negative frequency with MP2
|
0 |
329 |
Aug 17th 6:56 am
Jcpkato |
Can NWCHEM search MECP like GAMESS
|
2 |
374 |
Aug 15th 3:50 am
Xiongyan21 |
scf input directive not recognized
|
0 |
249 |
Aug 8th 3:50 pm
Alysonts |
ioctl error when using nwchem with ase
|
1 |
403 |
Aug 5th 12:05 pm
Edoapra |
RT TDDFT Electric Field phase
|
0 |
285 |
Aug 5th 9:48 am
Matrix2017 |
Memory Error
|
3 |
343 |
Aug 2nd 9:15 am
Edoapra |
Description of geometry in output file
|
1 |
307 |
Jul 31st 10:29 am
Edoapra |
error load output with gabedit 2.5.0 nwchem 6.8
|
0 |
0 |
Jul 30th 7:52 am
Marcel |
error load output with gabedit 2.5.0 nwchem 6.8
|
0 |
0 |
Jul 30th 7:50 am
Marcel |
error load output with gabedit 2.5.0 nwchem 6.8
|
0 |
0 |
Jul 30th 7:49 am
Marcel |
"cpsi_data_alloc: out of heap memory" error
|
0 |
320 |
Jul 27th 12:48 pm
Sergbuto |
Implicit solvent for plane wave dft?
|
0 |
249 |
Jul 26th 7:01 am
Florianj |
Optimization of H2O
|
2 |
402 |
Jul 23rd 6:16 pm
Hong420 |
Electron transfer based on CDFT
|
1 |
1445 |
Jul 22nd 3:31 pm
Nishat |
SCF energy of the NWChem sample (H2O)
|
15 |
756 |
Jul 10th 6:31 pm
Hong420 |
calculations not reaching convergence
|
1 |
275 |
Jul 9th 5:48 pm
Yibo |
Calculating oscillator strengths
|
2 |
498 |
Jul 3rd 10:48 am
Jmk12 |
Restarting Hessian Calculation
|
5 |
2883 |
Jun 24th 9:38 am
Seebol |
NWChem6.8.1 MA Error
|
2 |
546 |
Jun 23rd 2:33 pm
Srhhh |
New to NWChem and Avogadro...running the Getting started example
|
1 |
579 |
Jun 10th 1:07 pm
Jwkeller |
Why parallel running does not reduce time?
|
0 |
352 |
Jun 1st 9:47 am
Rxdcpu |
Different CCSD correlation energies between TCE and legacy CCSD code
|
2 |
383 |
May 29th 8:10 pm
Xiongyan21 |
How exactly are range-separated hybrids defined in NWChem?
|
0 |
307 |
May 23rd 8:45 pm
Etathetazeta |