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Displaying 26 results for: Edoapra Posts
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dft optimize failed
Started By : Ysun
14 3619 Aug 17th 1:52 am
Ysun
General Topics
moints_semi: failed to open half int file1 2
Started By : Ysun
23 13791 Aug 10th 3:41 am
Ysun
General Topics
Maximum number of constraints in CDFT
Started By : Jtravers
9 2243 Aug 4th 11:45 am
Jtravers
NWChem functionality
Ghost in geometry block with just ECP for DFT calculation
Started By : Logsdail
2 1904 Aug 4th 9:53 am
Logsdail
NWChem functionality
NWChem Slower with Multithreading?
Started By : DouDou
1 1766 Aug 2nd 9:53 am
Edoapra
Running NWChem
Running a Parallel Job
Started By : DouDou
7 2675 Aug 1st 11:52 am
DouDou
Running NWChem
compiling nwchem with mpich2
Started By : Qjklw2012
3 2940 Jul 31st 8:55 am
Edoapra
Compiling NWChem
Problems compiling nwchem with openSUSE, gcc, mpich
Started By : Qjklw2012
3 2341 Jul 30th 4:53 pm
Qjklw2012
Compiling NWChem
Runtime database errors
Started By : Tennisace143
3 2172 Jul 30th 10:07 am
Edoapra
Running NWChem
simple installation fail
Started By : Schezel2000
2 3642 Jul 25th 3:03 pm
Schezel2000
Compiling NWChem
SODFT tutorial example failure.
Started By : Davis68
3 1969 Jun 11th 1:09 pm
Bert
Running NWChem
VIM syntax highlighting for NWCHEM input deck
Started By : Jarvist
1 1749 Jun 4th 9:29 am
Edoapra
General Topics
B3P86 Functional
Started By : QuantumMenace
4 2451 May 20th 3:24 am
QuantumMenace
Running NWChem
failed ga_create size=*********
Started By : Adam
2 3619 May 18th 1:19 pm
Karol
Running NWChem
Compiling with MPI under cygwin
Started By : Ivo
11 9349 May 16th 4:15 pm
Bert
Compiling NWChem
How to write input file when I want to use BLYP-D3 method with NWCHEM?
Started By : Lmyiop
1 2169 May 16th 8:22 am
Edoapra
General Topics
dft maxiter?
Started By : Roo464
4 3414 Apr 30th 12:13 pm
Niri
QMMM
Compiling NWCHEM without MPI
Started By : Rpmuller
1 1755 Apr 30th 8:43 am
Edoapra
General Topics
Memory problem on AIX
Started By : Lmentel
13 5764 Apr 25th 4:28 am
Lmentel
Running NWChem
ga_get2eri: cannot allocate scr 2
Started By : Dandelion
4 1965 Apr 16th 5:50 pm
Dandelion
Running NWChem
cdft issue
Started By : Fl3p
11 3920 Apr 5th 7:50 am
Bert
Running NWChem
(Help!) Compiling NWChem6.1 with ifort,icc,mpich2, and mkl library
Started By : Yjleedaniel
6 4001 Mar 30th 2:23 pm
Bert
Compiling NWChem
DFT Projecting from a Small Basis into a Large Basis
Started By : Mkennedy8
1 2253 Mar 29th 8:08 am
Edoapra
Running NWChem
ARMCI error
Started By : Chloe
7 2968 Mar 1st 10:16 am
Bert
Running NWChem
Problems with B3LYP-D3 frequency calculation
Started By : Stigrs
2 4240 Mar 1st 6:10 am
Stigrs
Running NWChem
Error When Running DNTMC module
Started By : Wxu1024
5 1887 Feb 22nd 3:16 pm
Edoapra
Running NWChem
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