(the files you sent are not in UPF format, by the way) On Wed, Mar 25, 2020 at 8:26 AM Paolo Giannozzi <[email protected]> wrote:
> Several other pseudopotential tables are listed in the column at the left > of this page: > http://www.quantum-espresso.org/pseudopotentials > More information can be found in the topmost link on the left ( > http://www.quantum-espresso.org/pseudopotentials/about). > The directory upftools/ contains several converters from other formats to > UPF > > Paolo > > On Wed, Mar 25, 2020 at 8:22 AM Eesha Sanjay Andharia <[email protected]> > wrote: > >> Hi, >> I am trying run a basic scf calculation using QE. However, I am going >> to perform a GW calculation on my DFT results using BerkeleyGW code, for >> which I need to use only anorm-conserving PP file. >> I tried the following 2 things: >> 1) I tried to search from the QE PP library, but could not find any >> NOrm-conserving PP files for either of In or Se. >> 2) So, I went to Abinit PP directory where I found Norm-conserving PP >> files for both IN and Se. However, when I try to run my job, it crashes and >> gives the following error: >> file ./In.UPF not readable >> >> So, is there a way to find Norm-conserving PP files online? >> If not, do I need to do some post-processing or changes in the PP files I >> got from Abinit such that it can be made readable for QE? >> >> (PFA bot In and Se PP files with this email) >> >> >> _______________________________________________ >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) >> users mailing list [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users > > > > -- > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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