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Simple input file convergence problem: scf optimize failed
Started By : DanChQ
6 1142 Jan 28th 1:38 am
DanChQ
Running NWChem
problem " eafsize "
Started By : Lilabdb
2 2076 Jan 25th 3:10 pm
Yywalnut
General Topics
Not terminate normally. Thank you very much!
Started By : Greatqi
1 572 Jan 24th 7:58 pm
Edoapra
Running NWChem
dplot got all zero densities
Started By : Ytang
2 652 Jan 24th 7:15 pm
Ytang
General Topics
MP2: Counterpoise corrected geometry optimization fails
Started By : DSVA
4 615 Jan 20th 3:24 pm
DSVA
General Topics
How to fix the issue of error message "movecs_fragment: no. basis function mismatch" ?
Started By : Rangsiman
4 624 Jan 19th 7:33 pm
Rangsiman
General Topics
compiling on centos~~ can't find Python.h
Started By : Zww9
10 1590 Jan 18th 12:36 pm
Zww9
Compiling NWChem
Failure to compile on MinGW with MSYS
Started By : Covalent
3 1795 Jan 17th 10:59 am
Edoapra
Compiling NWChem
Error in ccsd_t after compiling
Started By : MarcelB
3 786 Jan 8th 3:13 pm
Jhammond
Compiling NWChem
"Catastrophic error" on ccsd_t_kernels_omp.F when compiling nw6.6 by ifort 15.0.2 under CentOS 7
Started By : Vistawanted
3 954 Jan 4th 7:23 pm
Edoapra
Compiling NWChem
Error compiling mov2asc in opensuse
Started By : Jecerca
1 631 Dec 27th 6:16 pm
Edoapra
Compiling NWChem
Compiling on RHEL 7 with MKL1 2
Started By : Afeleut
21 4510 Dec 27th 6:11 pm
Edoapra
Compiling NWChem
Multicore convergence problem
Started By : Extremis
8 943 Dec 26th 3:44 pm
Extremis
Running NWChem
Intel E5-2640v3 Haswell: No such instruction
Started By : Danielk
4 1777 Dec 12th 1:04 am
Danielk
Compiling NWChem
error in compilation with gfortran 5.4.0, -march=native
Started By : Ylniu
4 875 Dec 10th 8:08 pm
Ylniu
Compiling NWChem
MRCC_METHODS vs MRCC_THEORY
Started By : Vladimir
3 810 Dec 7th 3:55 pm
Edoapra
Compiling NWChem
error with pd and its STO input and output, Should I add "vectors output h2o.mo"Thank you very much!
Started By : Greatqi
6 750 Dec 1st 4:16 pm
Edoapra
Running NWChem
Ri-DFT deviations and error with gradient calculation
Started By : Joachim
3 1181 Dec 1st 3:40 pm
Edoapra
Running NWChem
frequencies: no mirroring in shellfockbld
Started By : Dudektria
5 878 Nov 29th 4:41 pm
Dudektria
Running NWChem
Error message in "dft_3cincor"
Started By : Abende
3 742 Nov 29th 12:41 pm
Edoapra
General Topics
Problem with runnig Nwchem in Linux Mint 18
Started By : Hal
3 919 Nov 21st 11:43 am
Hal
Running NWChem
User-friendly softwares for NWChem?
Started By : LonelySpooky
1 801 Nov 18th 10:50 am
Edoapra
General Topics
About the PBE0 optimization! Why cannot it continue? Is there any error in the input file?
Started By : Greatqi
9 788 Nov 11th 10:20 am
Edoapra
Running NWChem
Problem with number of atoms in BSSE DFT calculations
Started By : Orestis
2 539 Nov 10th 11:40 am
Orestis
Running NWChem
converged movecs and number of parallel processes
Started By : Zyzhang
2 589 Nov 9th 7:38 pm
Edoapra
Running NWChem
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