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Why can't I post?
Started By : Cjolley
4 2240 Jul 1st 9:16 am
Edoapra
General Topics
ngai errors in gradient calculation
Started By : Mqiyang
3 68 Jun 29th 11:53 pm
Edoapra
Running NWChem
Convergence issues
Started By : Bert
7 5105 Jun 29th 12:02 pm
Edoapra
Running NWChem
Convergence Problems with Iodine Def2-TZVPPD Basis Set
Started By : Florianj
2 67 Jun 16th 2:17 pm
Florianj
Running NWChem
RT-TDDFT water absorption example does not run
Started By : Dparsons
2 83 Jun 6th 7:56 am
Dparsons
Running NWChem
Realtivistic NMR with Spin-Orbit Coupling
Started By : Ann17
3 143 Jun 5th 10:44 am
Niri
NWChem functionality
Compiling NWChem 6.6 on openSUSE42.11 2
Started By : Frankenstein
20 7337 Jun 4th 9:12 pm
Lailajannah
Compiling NWChem
simple installation fail
Started By : Schezel2000
3 4894 May 29th 11:06 am
Ekant
Compiling NWChem
Nwchem problems in Ubuntu 20.04 LTS when it runs in parallel.
Started By : Rintontin
2 110 May 27th 5:43 pm
Rintontin
Compiling NWChem
task gradient failed
Started By : Apark37
1 128 May 14th 12:26 pm
Edoapra
Running NWChem
installation problem
Started By : Shima
5 296 May 2nd 3:04 pm
Shima
Compiling NWChem
how to run OVGF to calculate electron binding energy?
Started By : Bayesfactor
1 148 Apr 20th 1:12 pm
Edoapra
General Topics
"band_Grsm_list_start:get heap 0" error
Started By : Chen830
1 101 Apr 16th 4:19 pm
Edoapra
Running NWChem
Compiling NwChem 6.8.1 on Ubuntu 18.04 with OpenMPI 4.0 failed
Started By : Ftorazyne
13 1786 Apr 13th 10:06 am
Edoapra
Compiling NWChem
Compiling NWChem 7
Started By : Diego paschoal
4 241 Apr 7th 8:44 pm
Diego paschoal
Compiling NWChem
Compute dispersion contribute with external program on ONIOM calculation
Started By : Marcel
1 159 Apr 2nd 10:49 am
Edoapra
General Topics
Freq Calculation Error
Started By : Reza
1 151 Mar 31st 11:27 am
Edoapra
Running NWChem
Proper way to restart geometry optimization
Started By : Florianj
1 165 Mar 17th 5:58 pm
Edoapra
Running NWChem
TCE(CCSD(T)) crash during integral transformation
Started By : Chiensh
3 189 Mar 13th 11:26 am
Edoapra
Running NWChem
Setting Memory by Environment Variables
Started By : Chiensh
2 171 Mar 12th 9:04 pm
Chiensh
Running NWChem
NWChem 7.0 Memory Error "dneadiag: ysyev err.ne.0"
Started By : Florianj
2 163 Mar 12th 5:29 pm
Florianj
Running NWChem
How to prevent any modification of input geometry
Started By : MoritzBraun
2 229 Feb 25th 2:42 am
MoritzBraun
Running NWChem
Repeated messages: Unable to open benzene.nw --- appending .nw
Started By : MoritzBraun
2 207 Feb 20th 11:39 pm
MoritzBraun
Running NWChem
undefined reference to `MPI_Errhandler_set'
Started By : MoritzBraun
2 256 Feb 20th 12:47 am
MoritzBraun
Compiling NWChem
Strange/unexpected behaviour when running dft job for propane(C3H8)
Started By : MoritzBraun
2 558 Feb 17th 12:18 pm
MoritzBraun
General Topics
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