General Questions 138 topics

This is the place where you can put general questions/inquiries about MRCC related things.

	Subject	Replies / Views	Last Post
	Dipole moment Category: General Questions Topic started 10 years 2 months ago, by tamas821 Last Post 9 years 11 months ago by tamas821 1 2	Replies:8 Views:14k	Last Post by tamas821 9 years 11 months ago
	How to restart transition density calculation? Category: General Questions Topic started 10 years 1 month ago, by leos Last Post 10 years 1 month ago by leos	Replies:2 Views:4442	Last Post by leos 10 years 1 month ago
	possible inaccuracies in calculating ECP integrals Category: General Questions Topic started 10 years 3 months ago, by leos Last Post 10 years 3 months ago by leos	Replies:2 Views:4269	Last Post by leos 10 years 3 months ago
	print Dominant CI coefficients for every root Category: General Questions Topic started 10 years 11 months ago, by leos Last Post 10 years 4 months ago by leos	Replies:5 Views:4814	Last Post by leos 10 years 4 months ago
	MOLPRO+MRCC run; is it stuck or proceeding okay Category: General Questions Topic started 10 years 5 months ago, by jsimmie Last Post 10 years 5 months ago by kallay	Replies:3 Views:4628	Last Post by kallay 10 years 5 months ago
	Spin-orbit ECP Category: General Questions Topic started 10 years 7 months ago, by leos Last Post 10 years 7 months ago by kallay	Replies:1 Views:4490	Last Post by kallay 10 years 7 months ago
	Convergence CCSDTQ Category: General Questions Topic started 10 years 8 months ago, by nooijen Last Post 10 years 8 months ago by kallay	Replies:2 Views:4188	Last Post by kallay 10 years 8 months ago
	Calculating Excited Electronic States using MRCC Category: General Questions Topic started 10 years 11 months ago, by samstohme Last Post 10 years 9 months ago by samstohme 1 2 3	Replies:17 Views:18.8k	Last Post by samstohme 10 years 9 months ago
	Calculating Excited Electronic States using MRCC Category: General Questions Topic started 10 years 9 months ago, by samstohme Last Post 10 years 9 months ago by samstohme	Replies:0 Views:4110	Last Post by samstohme 10 years 9 months ago
	Calculating Excited Electronic States using MRCC Category: General Questions Topic started 10 years 9 months ago, by samstohme Last Post 10 years 9 months ago by samstohme	Replies:0 Views:4173	Last Post by samstohme 10 years 9 months ago
	Geometry Optimization with MRCC Category: General Questions Topic started 10 years 10 months ago, by ccqc Last Post 10 years 10 months ago by kallay	Replies:1 Views:4696	Last Post by kallay 10 years 10 months ago
	CC energy contributions Category: General Questions Topic started 10 years 10 months ago, by szsmiga Last Post 10 years 10 months ago by szsmiga	Replies:4 Views:4278	Last Post by szsmiga 10 years 10 months ago
	UHF Category: General Questions Topic started 11 years 1 month ago, by pablod@fq.edu.uy Last Post 11 years 1 month ago by pablod@fq.edu.uy	Replies:2 Views:4177	Last Post by pablod@fq.edu.uy 11 years 1 month ago
	singlet-triplet transitions (spin-flip) Category: General Questions Topic started 11 years 1 month ago, by leos Last Post 11 years 1 month ago by leos	Replies:2 Views:4153	Last Post by leos 11 years 1 month ago
	Dirac+Frequency-dependent polarizabilities Category: General Questions Topic started 11 years 3 months ago, by leos Last Post 11 years 3 months ago by kallay	Replies:1 Views:4055	Last Post by kallay 11 years 3 months ago
	errors in the MOLDEN file generated by MRCC Category: General Questions Topic started 11 years 4 months ago, by wzou Last Post 11 years 4 months ago by kallay	Replies:2 Views:4439	Last Post by kallay 11 years 4 months ago
	Oscillator strenth Category: General Questions Topic started 11 years 5 months ago, by Gess Last Post 11 years 5 months ago by kallay	Replies:1 Views:4078	Last Post by kallay 11 years 5 months ago
	Printing CCDENSITIES with Dirac Category: General Questions Topic started 11 years 5 months ago, by leos Last Post 11 years 5 months ago by leos	Replies:4 Views:4336	Last Post by leos 11 years 5 months ago

Time to create page: 0.017 seconds

Powered by Kunena Forum

MRCC Login