[Pw_forum] USPP creation using ld1.x

Lorenzo Paulatto Lorenzo.Paulatto at impmc.upmc.fr
Wed Oct 6 15:29:05 CEST 2010


Dear Parwana,
less then one month ago you asked a very similar question and I gave you  
relatively detailed answer. If something in my previous answer was not  
very clear you should have asked for clarification...
Anyway, if you cannot understand which are the occupation in the  
all-electron configuration, just set "iswitch=1" in your input file. If  
you then run it with ld1.x it will only do the all-electron calculation,  
included printing the occupations of the orbitals (and a lot of other  
funny numbers).

best regards

-- 
Lorenzo Paulatto
post-doc @ IMPMC/UPMC - Université Paris 6
phone: +33 (0)1 44 27 74 89
www:   http://www-int.impmc.upmc.fr/~paulatto/

previously (take note of the change!):
phd student @ SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
www:   http://people.sissa.it/~paulatto/



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