From NWChem
			You are viewing a single post from the thread title above
												
			
                  
        
            
                | 
                    
                 | 
            
            
                
                    
                        
                            | 
                 Just Got Here 
                
                                Threads 1 
                                Posts 1                              
                             | 
                         
                     
                 | 
            		
		                
		                    
		                        | 5:25:59 AM PDT - Thu, Oct 11th 2012  | 
		                             | 
		                     
		                    
		                        Hello there, 
I have calculated CD spectra in NWchem 6.1 using  
TDDFT 
  CIS 
  NROOTS 100 
  MAXVECS  1000 
  SINGLET 
  TARGET 1 
  THRESH 1e-4 
  MAXITER 100 
  CDSPECTRUM 
END 
 
 
My question is what software can plot the obtained CD spectrum? 
 
Thanks in advance
 | 
		                     
		                    
	| 
		Edited On 8:46:39 AM PDT - Fri, Oct 12th 2012 by FloresA
	 | 
 
		                 
		             | 
        
 
         | 
        
      
        	
            
                AWC's:
                 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC