Running NWChem

From NWChem

Topics related to running NWChem
Jump to: navigation, search

Announcement's Replies Views Last Action
Third release candidate for NWChem 6.8 available
Started By : Edoapra
7 340 Dec 3rd 3:06 pm
Edoapra
Bug in Raman code
Started By : Sean
0 2041 Feb 2nd 5:45 pm
Sean
NWChem 6.6: bug in geometry optimization
Started By : Edoapra
5 2174 Jan 28th 1:50 pm
Edoapra
Sticky: NWChem 6.6 available for download
Started By : Edoapra
0 5660 Oct 20th 3:12 pm
Edoapra

Jump to page 1Prev 2578910111213Next 25Last
Thread Title Replies Views Last Action
Making movies with rasmolmovie
Started By : Alarcj
1 603 Apr 25th 11:00 am
Edoapra
Raman and vibrational modes
Started By : Alarcj
1 530 Apr 25th 10:52 am
Edoapra
How to read the eigenvalues from the output?
Started By : Raul l
0 335 Apr 24th 9:01 pm
Raul l
Performance of NWCHEM-6.5
Started By : Makhyoun
0 369 Apr 21st 8:44 pm
Makhyoun
Expectation value of S2
Started By : Rasmus
0 607 Apr 15th 6:26 am
Rasmus
Non-convergence of iterative solution of linear equations ("lkain: not converged")
Started By : Logsdail
4 549 Apr 11th 1:33 am
Logsdail
MCSCF problem (cannot create CI vector)
Started By : Nesquik91
0 451 Apr 3rd 6:15 pm
Nesquik91
CCSD geometry optimization on the BSSE corrected surface!
Started By : Chemje
7 660 Apr 1st 8:17 am
Chemje
error running nwchem_openmpi in parallel
Started By : Rasmus
2 3810 Mar 31st 12:34 am
Rasmus
BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
Started By : Satvinder singh
3 2718 Mar 30th 12:19 pm
Edoapra
Excited state geometry optimization
Started By : Amir physicalchemist
0 452 Mar 25th 12:19 pm
Amir physicalchemist
Frequency problem!!!!!!!!!!!
Started By : Miblyf
1 505 Mar 24th 9:07 am
Sean
Concatenating input files changes the Electron Transfer Coupling Energy
Started By : Tkemper
0 467 Mar 21st 10:10 am
Tkemper
Minnesota density functionals crash w/NWXC and shielding properties
Started By : Mernst
1 1535 Mar 16th 5:43 pm
Edoapra
Problem with numerical frequency calculation
Started By : Olanky
2 730 Mar 16th 1:56 pm
Olanky
XC functionals in PSPW
Started By : Godzilla
0 365 Mar 16th 12:16 pm
Godzilla
Copper calculation with ECP
Started By : Godzilla
0 491 Mar 16th 11:49 am
Godzilla
problem in calculating mulliken charge
Started By : Zhenjiang
1 654 Mar 15th 7:36 am
Sean
ZORA fails with external point charges
Started By : Jacekj
1 586 Mar 4th 11:24 am
Edoapra
Car-Parrinello MD calculation problem
Started By : Amir physicalchemist
0 487 Mar 4th 5:00 am
Amir physicalchemist
quickest way to generate mm charges?
Started By : Yahcen
1 930 Mar 1st 4:14 pm
Tjerk
prepare error
Started By : Bme
1 501 Mar 1st 4:10 pm
Tjerk
md error
Started By : Lorenzodona
1 641 Mar 1st 4:08 pm
Tjerk
segmentation fault running md example
Started By : Lorenzodona
1 589 Mar 1st 4:05 pm
Tjerk
Probllems with MD module
Started By : Anastasia.phys
1 590 Mar 1st 4:02 pm
Tjerk

Forum >> NWChem's corner >> Running NWChem
Jump to page 1Prev 2578910111213Next 25Last



Who's here now Members 0 Guests 4 Bots/Crawler 10


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