(715) Search Results

From NWChem

Displaying 25 results for: Edoapra Posts
Jump to: navigation, search

Thread Title Replies Views Last Action Forum
Error in Geometry Optimization
Started By : Natalia
5 412 Jul 14th 12:59 pm
Edoapra
Running NWChem
NWChem 6.6 Mac LinAlg error
Started By : Checksum
9 545 Jul 13th 12:09 pm
Checksum
Compiling NWChem
Uploading basis sets
Started By : Kgdyall
1 491 Jul 11th 9:09 am
Edoapra
General BSE Topics
ERROR IN DFT OPTIMIZATION JOB
Started By : Satvinder
2 462 Jul 6th 7:46 pm
Satvinder singh
Running NWChem
Is it eligible to use the combination of DKH and SODFT
Started By : Ikea1984
1 556 Jul 6th 9:21 am
Edoapra
General Topics
Are these definitions correct for the functionals I am trying to define?
Started By : Beulahsu
9 7147 Jun 22nd 8:59 am
Niri
General Topics
compiling on ubuntu with python
Started By : RamanRamanRaman
3 442 Jun 21st 4:27 am
RamanRamanRaman
Compiling NWChem
nwchem 6.6 tests fails with more than 16 cores
Started By : Fcannini
4 451 Jun 20th 12:19 pm
Fcannini
Running NWChem
Compiling issue
Started By : Jtandy
2 443 Jun 16th 12:25 am
Jtandy
Compiling NWChem
making the movecs file visual?
Started By : Zhenjiang
2 389 Jun 15th 8:48 am
Zhenjiang
Running NWChem
Geometry optimization with dispersion correction vdw 3
Started By : Danielreta
3 478 Jun 15th 8:39 am
Edoapra
General Topics
insuff stack error in running job
Started By : Satvinder singh
1 667 Jun 14th 9:30 am
Edoapra
Running NWChem
RI-MP2 gradients
Started By : Mbanck
1 559 Jun 14th 9:27 am
Edoapra
NWChem functionality
CCSD gradients
Started By : Mbanck
7 820 May 29th 1:35 pm
Mbanck
NWChem functionality
Compiling NWChem with Intel 2016
Started By : Twk
6 1736 May 24th 5:19 am
Twk
Compiling NWChem
Inline specification of basis set
Started By : Danielreta
2 407 May 20th 2:29 am
Danielreta
General Topics
compiling nwchem-6.6 with infiniband
Started By : Heisen
3 630 May 17th 10:54 am
Heisen
Compiling NWChem
compiling NWChem 6.6 on Centos6
Started By : Douraku
2 624 May 16th 6:04 pm
Douraku
Compiling NWChem
HF1D: Insufficient scratch space
Started By : Logsdail
2 473 May 13th 5:17 am
Logsdail
Running NWChem
Two bugs affecting ZMATRIX directive
Started By : Marcof
2 596 May 13th 12:36 am
Marcof
General Topics
Compiling NWChem 6.6 (ubuntu 14.04)
Started By : Vladimir
8 1937 May 12th 7:52 pm
Vladimir
Compiling NWChem
problem with compilation
Started By : Anny
5 532 May 11th 10:10 am
Edoapra
General Topics
How is HOMO-LUMO gap value calculated?
Started By : Rookiequeen
1 475 May 11th 10:04 am
Edoapra
General Topics
Polyacetylene: Singularity in Pulay matrix. Error and Fock matrices removed
Started By : Alarcj
2 521 Apr 29th 4:47 pm
Alarcj
Running NWChem
Making movies with rasmolmovie
Started By : Alarcj
1 611 Apr 25th 11:00 am
Edoapra
Running NWChem
Jump to page 1Prev 256789101112Next 25Last

Who's here now Members 0 Guests 0 Bots/Crawler 0


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC