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trouble with M06-2X
Started By : Faklerus
6 398 Aug 1st 3:22 am
Faklerus
Running NWChem
How to calculate polarizability
Started By : NWfmohri
4 506 Jul 27th 5:14 pm
NWfmohri
Running NWChem
some patches do not apply cleanly against Nwchem-6.6.revision27746-src.2015-10-20
Started By : Marcindulak
1 495 Jul 22nd 8:57 am
Edoapra
Compiling NWChem
NWChem 6.6 compiles but doesn't work on the new Fedora 24
Started By : LonelySpooky
2 962 Jul 19th 7:54 am
LonelySpooky
Compiling NWChem
Error in Geometry Optimization
Started By : Natalia
5 360 Jul 14th 1:59 pm
Edoapra
Running NWChem
NWChem 6.6 Mac LinAlg error
Started By : Checksum
9 480 Jul 13th 1:09 pm
Checksum
Compiling NWChem
Uploading basis sets
Started By : Kgdyall
1 445 Jul 11th 10:09 am
Edoapra
General BSE Topics
ERROR IN DFT OPTIMIZATION JOB
Started By : Satvinder
2 415 Jul 6th 8:46 pm
Satvinder singh
Running NWChem
Is it eligible to use the combination of DKH and SODFT
Started By : Ikea1984
1 515 Jul 6th 10:21 am
Edoapra
General Topics
Are these definitions correct for the functionals I am trying to define?
Started By : Beulahsu
9 6928 Jun 22nd 9:59 am
Niri
General Topics
compiling on ubuntu with python
Started By : RamanRamanRaman
3 382 Jun 21st 5:27 am
RamanRamanRaman
Compiling NWChem
nwchem 6.6 tests fails with more than 16 cores
Started By : Fcannini
4 376 Jun 20th 1:19 pm
Fcannini
Running NWChem
Compiling issue
Started By : Jtandy
2 408 Jun 16th 1:25 am
Jtandy
Compiling NWChem
making the movecs file visual?
Started By : Zhenjiang
2 358 Jun 15th 9:48 am
Zhenjiang
Running NWChem
Geometry optimization with dispersion correction vdw 3
Started By : Danielreta
3 432 Jun 15th 9:39 am
Edoapra
General Topics
insuff stack error in running job
Started By : Satvinder singh
1 597 Jun 14th 10:30 am
Edoapra
Running NWChem
RI-MP2 gradients
Started By : Mbanck
1 477 Jun 14th 10:27 am
Edoapra
NWChem functionality
CCSD gradients
Started By : Mbanck
7 739 May 29th 2:35 pm
Mbanck
NWChem functionality
Compiling NWChem with Intel 2016
Started By : Twk
6 1615 May 24th 6:19 am
Twk
Compiling NWChem
Inline specification of basis set
Started By : Danielreta
2 356 May 20th 3:29 am
Danielreta
General Topics
compiling nwchem-6.6 with infiniband
Started By : Heisen
3 583 May 17th 11:54 am
Heisen
Compiling NWChem
compiling NWChem 6.6 on Centos6
Started By : Douraku
2 559 May 16th 7:04 pm
Douraku
Compiling NWChem
HF1D: Insufficient scratch space
Started By : Logsdail
2 416 May 13th 6:17 am
Logsdail
Running NWChem
Two bugs affecting ZMATRIX directive
Started By : Marcof
2 528 May 13th 1:36 am
Marcof
General Topics
Compiling NWChem 6.6 (ubuntu 14.04)
Started By : Vladimir
8 1809 May 12th 8:52 pm
Vladimir
Compiling NWChem
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