-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 On 11/11/2015 04:04 PM, Zhu, Jianxin wrote: > I am curios. How come the value emin becomes so big? It is > automatically set, no.
I think I set it when I was calculating a charge density (to get only the “valence” density). When I picked the calculation up again, I forgot to change it back. Elias > The EMIN was probably a leftover from a charge distribution > calculation. -----BEGIN PGP SIGNATURE----- Version: GnuPG v1 Comment: Using GnuPG with Icedove - http://www.enigmail.net/ iQIcBAEBAgAGBQJWQ1s6AAoJEE/4gtQZfOqPKXUQAKF8yBlnXybrBcqOFkO5swxU YoVvRaSHXFjvqoKVvdRAQyX6XyCQq+croO0TeMllMms2jGQ75Orwt1hPj0mY5fgS pJ/8TnXDqWM7kI9fCbb/ImlXnVNazzLN4NfHKXXAK9Zh5SF/bg2JY1sWb1I3NQVD ifvTCr8wkSkPx4w4OgHAB11SbXYQUvx3l4U2KQ42DNVRUvNpI1+SQeLOg8iTmeuJ OGeH2XDHerfEtRL4inY67hK7y/MK8QXvo9mGRtFoxOg9CvLXkPt4kBY+E7yDRcLW tYF2n2BjhHd12vtaSwy+ZEppACbEspUMrkoM5lKRcu2V/fUtYYfXNrnpuqAd4Byj RGnfDSSZK+BqfvineuhZx1VxV7lCw9A4WFClV0u5UNkmqFHDpEA2uM45WAPyi9Fo KIamOaVKDtrOmKU/FhnbRZHQ3JbOWUVphP4QdHyxBkC/a+n95lb5iqKHP21YUtbp v4q4O5ZUQW4DBNJLeuzGwNMbnyWYap1E1oFnrdG5Mqvqtmk6J+nin1BXA00qmmty qtaXpuOrpk111OAKNYoWwfApatomD90f/gZ9tC901AdmUbbpjpjiVZYGkpQxdIPD jz4WoRhYd95y0/r/s/Xy0Vi7yaAFxonAeEgN98Ybea181PXshVAWgU2O8BEpG35u 0xTwhiZEaRzAEnXV2xKd =ZsIi -----END PGP SIGNATURE----- _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html