Dear Pranjal, it was discussed in mailing list, -prec 2/3 may change some settings which does not allow to reuse previous calculations. Sincerely, M. > >>Dear All, >> >>Hello. >> >>Version 23.2 >> >>Suppose if I do a calculation with prec 1 and then I save everything that I >>need (save_lapw). On the same structure I would like to do the same >>calculations BUT this time with prec 2. >> >>In this case, when I run SCF, do I need to delete the old scf files or can I >>keep continuing from the old ones (in w2web when you click on Run SCF, they >>give you the option to save/delete or continue from the previous data)? >> >>I would like to kindly confirm what is the correct way to do (to optimise >>time). >> >>Kindly let me know. >> >>Thank you. >> >>With warm regards, >>Pranjal >> >> >> >>Aquest missatge, i els fitxers adjunts que hi pugui haver, pot contenir >>informació confidencial o protegida legalment i s’adreça exclusivament a la >>persona o entitat destinatària. Si no consteu com a destinatari final o no >>teniu l’encàrrec de rebre’l, no esteu autoritzat a llegir-lo, retenir-lo, >>modificar-lo, distribuir-lo, copiar-lo ni a revelar-ne el contingut. Si l’heu >>rebut per error, informeu-ne el remitent i elimineu del sistema tant el >>missatge com els fitxers adjunts que hi pugui haver. >> >>Este mensaje, y los ficheros adjuntos que pueda incluir, puede contener >>información confidencial o legalmente protegida y está exclusivamente >>dirigido a la persona o entidad destinataria. Si usted no consta como >>destinatario final ni es la persona encargada de recibirlo, no está >>autorizado a leerlo, retenerlo, modificarlo, distribuirlo o copiarlo, ni a >>revelar su contenido. Si lo ha recibido por error, informe de ello al >>remitente y elimine del sistema tanto el mensaje como los ficheros adjuntos >>que pueda contener. >> >>This email message and any attachments it carries may contain confidential or >>legally protected material and are intended solely for the individual or >>organization to whom they are addressed. If you are not the intended >>recipient of this message or the person responsible for processing it, then >>you are not authorized to read, save, modify, send, copy or disclose any part >>of it. If you have received the message by mistake, please inform the sender >>of this and eliminate the message and any attachments it carries from your >>account. >> >>_______________________________________________ >>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 >
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